catena-Poly[[tetra-kis-(hexa-methyl-phospho-ramide-κO)bis-(nitrato-κO,O')cerium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]].

Hexa-methyl-phospho-ramide (hmp), tetra-thio-tungstate, silver sulfide and cerium nitrate were self-assembled to form a one-dimensional anionic [Ag(4)W(4)S(16)](n) (4n-) chain in the title compound, {[Ce(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n). The asymmetric unit contains four crystallographically independent [Ce(hmp)(4)(NO(3))(2)](+) cations, which leads to a one-dimensional polymeric anionic chain having a tetra-valent [W(4)S(16)Ag(4)] repeat unit. Each central Ce atom is coordinated by eight O atoms from two chelating nitrate and four hmp ligands, which gives rise to a distorted square-anti-prismatic structure. The polymeric chain with average W-Ag-W and Ag-W-Ag bond angles of 163.75 and 151.84°, respectively, presents a distorted linear configuration. The title complex with a non-centrosymmetric structure, is analogous to the Yb, Y, Eu, Nd, La and Dy isomorphs, which exhibit centrosymmetric structures.

Related literature

For one-dimensional Mo(W)/S/Ag anionic polymers, see: Niu et al. (2004 ▶). For their unique properties, see: Zhang, Song et al. (2007 ▶). For analogous centrosymmetric complexes, see: Cao et al. (2007 ▶); Zhang, Cao et al. (2007 ▶); Zhang, Qian et al. (2007 ▶); Tang, Zhang & Zhang (2008 ▶); Tang, Zhang, Zhang & Lu (2008 ▶); Wei et al. (2010 ▶).

Experimental

Crystal data

[Ce(NO3)2(C6H18N3OP)4][AgWS4]

M = 1400.92

Monoclinic,

a = 15.639 (3) Å

b = 30.002 (6) Å

c = 22.532 (4) Å

β = 90.53 (3)°

V = 10572 (3) Å3

Z = 8

Mo Kα radiation

μ = 3.72 mm−1

T = 153 K

0.30 × 0.22 × 0.20 mm

Data collection

Rigaku Saturn724+ diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2007 ▶) T min = 0.390, T max = 0.475

49779 measured reflections

34142 independent reflections

32497 reflections with I > 2σ(I)

R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.068

S = 1.06

34142 reflections

2221 parameters

1 restraint

H-atom parameters constrained

Δρmax = 0.74 e Å−3

Δρmin = −0.96 e Å−3

Absolute structure: Flack (1983 ▶), 14534 Friedel pairs

Flack parameter: 0.286 (4)

Data collection: CrystalClear (Rigaku, 2007 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810044260/zq2066sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810044260/zq2066Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ce(NO3)2(C6H18N3OP)4][AgWS4]	F(000) = 5576
Mr = 1400.92	Dx = 1.760 Mg m−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
a = 15.639 (3) Å	Cell parameters from 45199 reflections
b = 30.002 (6) Å	θ = 2.8–29.0°
c = 22.532 (4) Å	µ = 3.72 mm−1
β = 90.53 (3)°	T = 153 K
V = 10572 (3) Å3	Block, orange
Z = 8	0.3 × 0.22 × 0.20 mm

Rigaku Saturn724+ (2x2 bin mode) diffractometer	34142 independent reflections
Radiation source: fine-focus sealed tube	32497 reflections with I > 2σ(I)
graphite	Rint = 0.024
ω scans	θmax = 25.4°, θmin = 2.8°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007)	h = −12→18
Tmin = 0.390, Tmax = 0.475	k = −35→36
49779 measured reflections	l = −27→25

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034	H-atom parameters constrained
wR(F2) = 0.068	w = 1/[σ2(Fo2) + (0.0224P)2 + 4.7571P] where P = (Fo2 + 2Fc2)/3
S = 1.06	(Δ/σ)max = 0.003
34142 reflections	Δρmax = 0.74 e Å−3
2221 parameters	Δρmin = −0.96 e Å−3
1 restraint	Absolute structure: Flack (1983), 14534 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: 0.286 (4)

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
W1	0.70667 (2)	0.670558 (10)	0.635629 (14)	0.01653 (8)
W2	0.70710 (2)	0.718307 (10)	0.384943 (14)	0.01684 (8)
W3	0.71320 (2)	0.680506 (10)	0.132285 (14)	0.01660 (8)
W4	0.71030 (2)	0.726819 (9)	−0.117449 (14)	0.01602 (8)
Ag1	0.70624 (5)	0.70662 (2)	0.51475 (3)	0.02993 (18)
Ag2	0.71221 (5)	0.68628 (2)	0.26209 (3)	0.03115 (18)
Ag3	0.71502 (5)	0.71867 (2)	0.01258 (3)	0.03065 (18)
Ag4	0.70672 (5)	0.68569 (2)	0.76465 (3)	0.03160 (18)
S1	0.59159 (15)	0.65587 (8)	0.68776 (10)	0.0265 (5)
S2	0.82175 (15)	0.65644 (8)	0.68948 (10)	0.0244 (5)
S3	0.70493 (16)	0.74260 (7)	0.61376 (10)	0.0240 (5)
S4	0.70920 (15)	0.62697 (7)	0.55689 (10)	0.0233 (5)
S5	0.59056 (15)	0.73146 (9)	0.43625 (10)	0.0304 (6)
S6	0.82233 (15)	0.73143 (8)	0.43943 (10)	0.0262 (5)
S7	0.70824 (16)	0.76450 (7)	0.30862 (9)	0.0237 (5)
S8	0.70711 (17)	0.64732 (7)	0.35904 (10)	0.0279 (5)
S9	0.59795 (15)	0.66429 (8)	0.18283 (10)	0.0260 (5)
S10	0.82968 (15)	0.66679 (7)	0.18527 (10)	0.0236 (5)
S11	0.70992 (15)	0.75284 (7)	0.11250 (10)	0.0214 (5)
S12	0.71504 (15)	0.63835 (7)	0.05201 (9)	0.0230 (5)
S13	0.59544 (15)	0.74205 (7)	−0.06550 (10)	0.0236 (5)
S14	0.82577 (15)	0.74540 (8)	−0.06615 (10)	0.0266 (5)
S15	0.70532 (15)	0.76722 (7)	−0.19945 (10)	0.0243 (5)
S16	0.71292 (15)	0.65425 (7)	−0.13326 (10)	0.0230 (5)
Ce1	0.23943 (3)	0.530118 (13)	0.432688 (18)	0.01342 (10)
P1	0.17428 (13)	0.43188 (7)	0.53337 (9)	0.0197 (4)
P2	0.47960 (13)	0.52705 (7)	0.47157 (9)	0.0268 (5)
P3	0.30186 (15)	0.60588 (7)	0.30129 (10)	0.0229 (5)
P4	0.01650 (14)	0.58453 (7)	0.44156 (9)	0.0181 (5)
O1	0.2087 (3)	0.46413 (17)	0.4896 (2)	0.0179 (12)
O2	0.3877 (3)	0.52404 (18)	0.4519 (2)	0.0242 (13)
O3	0.2779 (4)	0.57219 (17)	0.3469 (2)	0.0203 (12)
O4	0.0975 (3)	0.55851 (17)	0.4391 (2)	0.0208 (13)
O5	0.2604 (4)	0.6089 (2)	0.4817 (3)	0.0306 (15)
O6	0.2435 (6)	0.6213 (3)	0.5756 (3)	0.071 (3)
O7	0.2374 (4)	0.55348 (19)	0.5427 (3)	0.0300 (15)
O8	0.1566 (4)	0.48881 (18)	0.3496 (2)	0.0229 (13)
O9	0.2122 (4)	0.44519 (19)	0.2840 (3)	0.0328 (16)
O10	0.2868 (4)	0.46843 (18)	0.3593 (2)	0.0212 (13)
N1	0.0763 (4)	0.4198 (2)	0.5144 (3)	0.0273 (16)
N2	0.1759 (5)	0.4496 (2)	0.6025 (3)	0.0328 (17)
N3	0.2337 (4)	0.3872 (2)	0.5358 (3)	0.0232 (15)
N4	0.5043 (5)	0.5670 (3)	0.5147 (3)	0.051 (2)
N5	0.5035 (5)	0.4798 (3)	0.5038 (3)	0.054 (2)
N6	0.5411 (4)	0.5344 (2)	0.4153 (3)	0.0337 (16)
N7	0.3637 (5)	0.6472 (2)	0.3233 (3)	0.0259 (17)
N8	0.3554 (5)	0.5809 (2)	0.2485 (3)	0.0362 (19)
N9	0.2145 (5)	0.6306 (2)	0.2772 (3)	0.0238 (16)
N10	0.0143 (4)	0.6252 (2)	0.3931 (3)	0.0197 (15)
N11	−0.0633 (4)	0.5508 (2)	0.4284 (3)	0.0203 (15)
N12	0.0054 (5)	0.6066 (2)	0.5074 (3)	0.0285 (18)
N13	0.2168 (5)	0.4668 (2)	0.3295 (3)	0.0203 (16)
N14	0.2473 (6)	0.5946 (3)	0.5344 (4)	0.039 (2)
C1	0.0184 (5)	0.4534 (3)	0.4900 (4)	0.033 (2)
H1A	−0.0202	0.4630	0.5203	0.049*
H1B	−0.0136	0.4408	0.4575	0.049*
H1C	0.0509	0.4784	0.4762	0.049*
C2	0.0327 (6)	0.3797 (3)	0.5369 (5)	0.059 (3)
H2A	−0.0095	0.3700	0.5085	0.089*
H2B	0.0053	0.3866	0.5738	0.089*
H2C	0.0738	0.3564	0.5432	0.089*
C3	0.1047 (8)	0.4672 (5)	0.6322 (4)	0.105 (6)
H3A	0.0980	0.4981	0.6220	0.158*
H3B	0.1133	0.4645	0.6743	0.158*
H3C	0.0542	0.4511	0.6206	0.158*
C4	0.2566 (7)	0.4626 (4)	0.6307 (4)	0.057 (3)
H4A	0.2553	0.4551	0.6721	0.085*
H4B	0.2648	0.4941	0.6263	0.085*
H4C	0.3029	0.4470	0.6121	0.085*
C5	0.2358 (6)	0.3552 (3)	0.5853 (4)	0.043 (2)
H5A	0.2938	0.3462	0.5929	0.065*
H5B	0.2020	0.3296	0.5751	0.065*
H5C	0.2130	0.3690	0.6202	0.065*
C6	0.2675 (5)	0.3682 (3)	0.4811 (4)	0.033 (2)
H6A	0.2370	0.3412	0.4717	0.049*
H6B	0.3271	0.3615	0.4865	0.049*
H6C	0.2605	0.3891	0.4493	0.049*
C7	0.4995 (7)	0.6124 (4)	0.4926 (6)	0.071 (4)
H7A	0.5337	0.6315	0.5175	0.106*
H7B	0.4412	0.6223	0.4930	0.106*
H7C	0.5206	0.6134	0.4528	0.106*
C8	0.4866 (8)	0.5612 (5)	0.5782 (5)	0.118 (6)
H8A	0.4314	0.5733	0.5870	0.177*
H8B	0.5295	0.5764	0.6013	0.177*
H8C	0.4875	0.5300	0.5878	0.177*
C9	0.4446 (6)	0.4508 (3)	0.5306 (4)	0.039 (2)
H9A	0.4422	0.4570	0.5723	0.059*
H9B	0.4624	0.4206	0.5246	0.059*
H9C	0.3891	0.4552	0.5130	0.059*
C10	0.5930 (6)	0.4686 (4)	0.5180 (5)	0.091 (5)
H10A	0.6010	0.4370	0.5147	0.137*
H10B	0.6064	0.4780	0.5577	0.137*
H10C	0.6301	0.4836	0.4907	0.137*
C11	0.6314 (6)	0.5454 (3)	0.4192 (5)	0.058 (3)
H11A	0.6464	0.5645	0.3867	0.087*
H11B	0.6646	0.5185	0.4174	0.087*
H11C	0.6429	0.5604	0.4560	0.087*
C12	0.5168 (6)	0.5193 (3)	0.3558 (3)	0.047 (2)
H12A	0.5483	0.4929	0.3462	0.070*
H12B	0.5294	0.5423	0.3276	0.070*
H12C	0.4566	0.5130	0.3547	0.070*
C13	0.3310 (6)	0.6770 (3)	0.3683 (4)	0.028 (2)
H13A	0.3592	0.7053	0.3654	0.042*
H13B	0.3416	0.6644	0.4069	0.042*
H13C	0.2706	0.6809	0.3625	0.042*
C14	0.4561 (5)	0.6414 (3)	0.3275 (4)	0.045 (2)
H14A	0.4694	0.6202	0.3582	0.068*
H14B	0.4824	0.6695	0.3368	0.068*
H14C	0.4773	0.6307	0.2903	0.068*
C15	0.3602 (6)	0.5341 (2)	0.2407 (3)	0.040 (2)
H15A	0.4189	0.5254	0.2361	0.060*
H15B	0.3281	0.5257	0.2060	0.060*
H15C	0.3369	0.5194	0.2748	0.060*
C16	0.3807 (7)	0.6064 (3)	0.1961 (4)	0.053 (3)
H16A	0.3372	0.6038	0.1659	0.079*
H16B	0.4337	0.5949	0.1813	0.079*
H16C	0.3879	0.6372	0.2067	0.079*
C17	0.2135 (6)	0.6723 (3)	0.2440 (4)	0.030 (2)
H17A	0.1635	0.6891	0.2541	0.045*
H17B	0.2125	0.6659	0.2022	0.045*
H17C	0.2637	0.6892	0.2537	0.045*
C18	0.1435 (6)	0.6006 (3)	0.2603 (4)	0.040 (2)
H18A	0.1503	0.5913	0.2198	0.059*
H18B	0.0902	0.6161	0.2642	0.059*
H18C	0.1440	0.5750	0.2858	0.059*
C19	0.0815 (6)	0.6584 (3)	0.3958 (4)	0.028 (2)
H19A	0.0605	0.6847	0.4151	0.042*
H19B	0.0990	0.6658	0.3563	0.042*
H19C	0.1294	0.6467	0.4178	0.042*
C20	−0.0589 (6)	0.6357 (3)	0.3549 (4)	0.028 (2)
H20A	−0.0394	0.6427	0.3158	0.043*
H20B	−0.0889	0.6609	0.3709	0.043*
H20C	−0.0967	0.6105	0.3531	0.043*
C21	−0.0621 (5)	0.5211 (3)	0.3774 (3)	0.0266 (19)
H21A	−0.0906	0.5351	0.3444	0.040*
H21B	−0.0908	0.4938	0.3871	0.040*
H21C	−0.0039	0.5147	0.3670	0.040*
C22	−0.1502 (6)	0.5590 (3)	0.4516 (4)	0.036 (2)
H22A	−0.1761	0.5312	0.4622	0.054*
H22B	−0.1843	0.5734	0.4216	0.054*
H22C	−0.1464	0.5779	0.4860	0.054*
C23	−0.0389 (7)	0.6479 (3)	0.5182 (4)	0.037 (2)
H23A	−0.0016	0.6681	0.5390	0.055*
H23B	−0.0886	0.6423	0.5417	0.055*
H23C	−0.0561	0.6609	0.4810	0.055*
C24	0.0269 (6)	0.5802 (3)	0.5609 (4)	0.032 (2)
H24A	−0.0248	0.5707	0.5796	0.048*
H24B	0.0595	0.5983	0.5880	0.048*
H24C	0.0599	0.5547	0.5497	0.048*
Ce2	0.24257 (3)	0.535742 (13)	0.950288 (18)	0.01308 (10)
P5	0.20715 (14)	0.42160 (7)	1.02711 (9)	0.0202 (4)
P6	0.47539 (12)	0.54651 (6)	0.99636 (8)	0.0175 (4)
P7	0.29820 (14)	0.60994 (7)	0.81644 (9)	0.0194 (5)
P8	0.01721 (14)	0.58537 (7)	0.96084 (10)	0.0189 (5)
O11	0.2231 (3)	0.46756 (17)	1.0052 (2)	0.0174 (12)
O12	0.3910 (3)	0.53180 (18)	0.9713 (2)	0.0202 (12)
O13	0.2741 (4)	0.58384 (17)	0.8699 (2)	0.0206 (13)
O14	0.0981 (3)	0.55967 (17)	0.9588 (2)	0.0171 (12)
O15	0.1644 (4)	0.49599 (19)	0.8630 (2)	0.0217 (13)
O16	0.2289 (5)	0.4617 (2)	0.7912 (3)	0.0419 (18)
O17	0.2996 (4)	0.48047 (19)	0.8704 (3)	0.0263 (14)
O18	0.2526 (4)	0.61465 (19)	0.9986 (2)	0.0222 (13)
O19	0.2197 (5)	0.6304 (2)	1.0894 (3)	0.0455 (19)
O20	0.2350 (4)	0.56068 (19)	1.0601 (2)	0.0253 (14)
N15	0.1153 (4)	0.4051 (2)	0.9990 (3)	0.0306 (16)
N16	0.2127 (4)	0.4222 (2)	1.1000 (3)	0.0289 (16)
N17	0.2739 (4)	0.3827 (2)	1.0084 (3)	0.0280 (16)
N18	0.4782 (4)	0.53218 (19)	1.0668 (3)	0.0236 (14)
N19	0.5490 (4)	0.5231 (2)	0.9568 (3)	0.0342 (17)
N20	0.4982 (5)	0.5995 (2)	0.9978 (3)	0.0222 (15)
N21	0.3564 (5)	0.5802 (2)	0.7727 (3)	0.0318 (18)
N22	0.3521 (5)	0.6546 (2)	0.8353 (3)	0.0258 (17)
N23	0.2106 (5)	0.6241 (2)	0.7809 (3)	0.0306 (18)
N24	0.0151 (4)	0.6245 (2)	0.9105 (3)	0.0226 (16)
N25	−0.0618 (4)	0.5506 (2)	0.9497 (3)	0.0275 (17)
N26	0.0065 (5)	0.6085 (2)	1.0263 (3)	0.0234 (16)
N27	0.2304 (5)	0.4792 (2)	0.8397 (3)	0.0286 (18)
N28	0.2359 (5)	0.6021 (3)	1.0508 (3)	0.0317 (19)
C25	0.0494 (5)	0.4383 (3)	0.9877 (4)	0.036 (2)
H25A	0.0289	0.4497	1.0248	0.054*
H25B	0.0029	0.4249	0.9660	0.054*
H25C	0.0729	0.4623	0.9648	0.054*
C26	0.0806 (6)	0.3608 (3)	1.0119 (5)	0.059 (3)
H26A	0.0462	0.3509	0.9790	0.089*
H26B	0.0461	0.3623	1.0469	0.089*
H26C	0.1268	0.3402	1.0183	0.089*
C27	0.1935 (6)	0.3819 (3)	1.1343 (4)	0.043 (2)
H27A	0.1333	0.3807	1.1421	0.065*
H27B	0.2247	0.3826	1.1711	0.065*
H27C	0.2100	0.3561	1.1120	0.065*
C28	0.1960 (7)	0.4630 (3)	1.1334 (4)	0.041 (2)
H28A	0.2343	0.4646	1.1668	0.062*
H28B	0.1380	0.4628	1.1470	0.062*
H28C	0.2047	0.4883	1.1082	0.062*
C29	0.3532 (6)	0.3732 (3)	1.0395 (4)	0.044 (2)
H29A	0.3994	0.3881	1.0200	0.066*
H29B	0.3633	0.3416	1.0393	0.066*
H29C	0.3494	0.3835	1.0797	0.066*
C30	0.2786 (7)	0.3677 (4)	0.9459 (4)	0.068 (3)
H30A	0.2992	0.3376	0.9446	0.102*
H30B	0.3169	0.3868	0.9245	0.102*
H30C	0.2227	0.3691	0.9280	0.102*
C31	0.4357 (5)	0.4912 (3)	1.0834 (3)	0.033 (2)
H31A	0.4236	0.4918	1.1251	0.050*
H31B	0.4721	0.4663	1.0748	0.050*
H31C	0.3832	0.4884	1.0613	0.050*
C32	0.5563 (5)	0.5394 (3)	1.1024 (3)	0.038 (2)
H32A	0.5993	0.5184	1.0906	0.057*
H32B	0.5437	0.5352	1.1437	0.057*
H32C	0.5767	0.5691	1.0963	0.057*
C33	0.5327 (5)	0.4895 (3)	0.9126 (4)	0.042 (2)
H33A	0.5593	0.4620	0.9245	0.062*
H33B	0.5557	0.4989	0.8753	0.062*
H33C	0.4721	0.4851	0.9084	0.062*
C34	0.6399 (5)	0.5338 (3)	0.9642 (4)	0.050 (3)
H34A	0.6644	0.5397	0.9260	0.075*
H34B	0.6689	0.5090	0.9823	0.075*
H34C	0.6460	0.5596	0.9890	0.075*
C35	0.4626 (5)	0.6289 (2)	1.0424 (4)	0.032 (2)
H35A	0.4107	0.6420	1.0274	0.049*
H35B	0.5030	0.6520	1.0516	0.049*
H35C	0.4506	0.6121	1.0776	0.049*
C36	0.5230 (6)	0.6220 (3)	0.9422 (4)	0.043 (3)
H36A	0.5594	0.6469	0.9514	0.065*
H36B	0.4726	0.6324	0.9218	0.065*
H36C	0.5530	0.6014	0.9174	0.065*
C37	0.4301 (6)	0.5572 (3)	0.7973 (4)	0.053 (3)
H37A	0.4815	0.5718	0.7847	0.079*
H37B	0.4303	0.5269	0.7838	0.079*
H37C	0.4275	0.5577	0.8399	0.079*
C38	0.3534 (8)	0.5825 (4)	0.7079 (4)	0.064 (3)
H38A	0.3500	0.5529	0.6918	0.095*
H38B	0.4042	0.5968	0.6937	0.095*
H38C	0.3041	0.5993	0.6955	0.095*
C39	0.4142 (6)	0.6760 (3)	0.7968 (4)	0.044 (3)
H39A	0.4643	0.6836	0.8195	0.066*
H39B	0.3897	0.7025	0.7800	0.066*
H39C	0.4295	0.6559	0.7655	0.066*
C40	0.3224 (6)	0.6819 (3)	0.8827 (4)	0.037 (2)
H40A	0.2920	0.7070	0.8667	0.055*
H40B	0.3703	0.6921	0.9058	0.055*
H40C	0.2850	0.6648	0.9074	0.055*
C41	0.1994 (6)	0.6669 (3)	0.7506 (4)	0.038 (2)
H41A	0.1473	0.6806	0.7635	0.057*
H41B	0.1967	0.6621	0.7085	0.057*
H41C	0.2468	0.6860	0.7599	0.057*
C42	0.1428 (7)	0.5918 (3)	0.7673 (5)	0.050 (3)
H42A	0.1355	0.5896	0.7250	0.075*
H42B	0.0903	0.6015	0.7848	0.075*
H42C	0.1584	0.5631	0.7830	0.075*
C43	0.0837 (6)	0.6568 (3)	0.9081 (4)	0.030 (2)
H43A	0.0622	0.6857	0.9186	0.044*
H43B	0.1063	0.6578	0.8687	0.044*
H43C	0.1282	0.6484	0.9355	0.044*
C44	−0.0613 (7)	0.6356 (3)	0.8744 (5)	0.045 (3)
H44A	−0.0445	0.6414	0.8343	0.067*
H44B	−0.0882	0.6617	0.8904	0.067*
H44C	−0.1007	0.6111	0.8751	0.067*
C45	−0.0586 (6)	0.5189 (3)	0.9002 (4)	0.033 (2)
H45A	−0.0893	0.5309	0.8668	0.050*
H45B	−0.0841	0.4912	0.9120	0.050*
H45C	−0.0001	0.5139	0.8895	0.050*
C46	−0.1475 (6)	0.5588 (4)	0.9741 (5)	0.046 (3)
H46A	−0.1706	0.5314	0.9890	0.069*
H46B	−0.1843	0.5703	0.9435	0.069*
H46C	−0.1433	0.5801	1.0059	0.069*
C47	−0.0318 (7)	0.6524 (4)	1.0354 (5)	0.052 (3)
H47A	0.0052	0.6701	1.0602	0.077*
H47B	−0.0863	0.6491	1.0542	0.077*
H47C	−0.0394	0.6669	0.9977	0.077*
C48	0.0185 (7)	0.5820 (4)	1.0791 (4)	0.041 (3)
H48A	−0.0361	0.5721	1.0931	0.061*
H48B	0.0461	0.5996	1.1092	0.061*
H48C	0.0534	0.5566	1.0700	0.061*
Ce3	0.23763 (3)	0.863346 (13)	0.686301 (18)	0.01293 (10)
P9	0.01473 (14)	0.80796 (7)	0.69531 (10)	0.0180 (5)
P10	0.29502 (15)	0.78355 (7)	0.55792 (9)	0.0196 (5)
P11	0.47679 (12)	0.86406 (7)	0.72080 (8)	0.0199 (4)
P12	0.17030 (13)	0.96496 (6)	0.78115 (9)	0.0179 (4)
O21	0.0972 (4)	0.83402 (17)	0.6931 (2)	0.0201 (12)
O22	0.2730 (4)	0.81275 (17)	0.6093 (2)	0.0233 (13)
O23	0.3859 (3)	0.87277 (18)	0.7014 (2)	0.0210 (12)
O24	0.2046 (3)	0.93110 (17)	0.7384 (2)	0.0194 (13)
O25	0.1551 (4)	0.90120 (18)	0.5999 (2)	0.0234 (13)
O26	0.2086 (4)	0.9464 (2)	0.5346 (3)	0.0366 (17)
O27	0.2877 (4)	0.9215 (2)	0.6084 (3)	0.0260 (14)
O28	0.2624 (4)	0.78910 (18)	0.7428 (3)	0.0235 (14)
O29	0.2364 (5)	0.7803 (2)	0.8374 (3)	0.052 (2)
O30	0.2351 (4)	0.8463 (2)	0.7985 (3)	0.0290 (15)
N29	0.0034 (5)	0.7856 (2)	0.7597 (3)	0.0217 (16)
N30	0.0141 (4)	0.7679 (2)	0.6462 (3)	0.0227 (16)
N31	−0.0664 (4)	0.8413 (2)	0.6819 (3)	0.0210 (15)
N32	0.3498 (5)	0.7412 (2)	0.5819 (3)	0.0259 (17)
N33	0.2078 (5)	0.7666 (2)	0.5247 (3)	0.0267 (17)
N34	0.3529 (5)	0.8096 (2)	0.5093 (3)	0.0316 (18)
N35	0.4986 (4)	0.8159 (2)	0.7492 (3)	0.0243 (15)
N36	0.5008 (4)	0.9005 (2)	0.7721 (3)	0.0343 (17)
N37	0.5401 (4)	0.8667 (2)	0.6626 (3)	0.0224 (14)
N38	0.1737 (4)	0.9510 (2)	0.8517 (3)	0.0273 (16)
N39	0.2289 (4)	1.01016 (19)	0.7791 (3)	0.0248 (15)
N40	0.0708 (4)	0.9750 (2)	0.7634 (3)	0.0214 (15)
N41	0.2181 (4)	0.9240 (2)	0.5799 (3)	0.0197 (15)
N42	0.2433 (5)	0.8031 (2)	0.7939 (3)	0.0237 (17)
C49	0.0221 (7)	0.8101 (3)	0.8150 (4)	0.038 (2)
H49A	0.0658	0.7947	0.8370	0.057*
H49B	−0.0288	0.8119	0.8383	0.057*
H49C	0.0415	0.8396	0.8055	0.057*
C50	−0.0419 (6)	0.7440 (3)	0.7722 (4)	0.032 (2)
H50A	−0.0943	0.7506	0.7922	0.048*
H50B	−0.0067	0.7254	0.7970	0.048*
H50C	−0.0543	0.7288	0.7357	0.048*
C51	0.0822 (6)	0.7340 (3)	0.6479 (4)	0.026 (2)
H51A	0.1076	0.7316	0.6095	0.039*
H51B	0.0581	0.7057	0.6589	0.039*
H51C	0.1250	0.7425	0.6766	0.039*
C52	−0.0576 (6)	0.7556 (3)	0.6091 (4)	0.030 (2)
H52A	−0.0774	0.7265	0.6202	0.045*
H52B	−0.0402	0.7552	0.5683	0.045*
H52C	−0.1028	0.7769	0.6139	0.045*
C53	−0.1515 (5)	0.8334 (3)	0.7045 (4)	0.028 (2)
H53A	−0.1845	0.8171	0.6756	0.043*
H53B	−0.1788	0.8615	0.7123	0.043*
H53C	−0.1477	0.8165	0.7406	0.043*
C54	−0.0633 (5)	0.8695 (3)	0.6286 (3)	0.030 (2)
H54A	−0.0912	0.8974	0.6365	0.044*
H54B	−0.0919	0.8547	0.5963	0.044*
H54C	−0.0048	0.8749	0.6183	0.044*
C55	0.4142 (6)	0.7175 (3)	0.5472 (4)	0.057 (3)
H55A	0.3894	0.6911	0.5304	0.085*
H55B	0.4614	0.7095	0.5726	0.085*
H55C	0.4341	0.7365	0.5160	0.085*
C56	0.3221 (6)	0.7151 (3)	0.6343 (3)	0.027 (2)
H56A	0.3710	0.7013	0.6528	0.040*
H56B	0.2823	0.6925	0.6219	0.040*
H56C	0.2951	0.7346	0.6622	0.040*
C57	0.2000 (7)	0.7238 (3)	0.4941 (4)	0.039 (2)
H57A	0.2013	0.7285	0.4520	0.058*
H57B	0.1470	0.7099	0.5045	0.058*
H57C	0.2468	0.7048	0.5056	0.058*
C58	0.1435 (6)	0.7986 (3)	0.5087 (4)	0.041 (3)
H58A	0.0883	0.7876	0.5200	0.061*
H58B	0.1443	0.8034	0.4666	0.061*
H58C	0.1547	0.8262	0.5289	0.061*
C59	0.3469 (7)	0.8029 (4)	0.4453 (4)	0.065 (4)
H59A	0.3966	0.7872	0.4319	0.097*
H59B	0.3434	0.8313	0.4258	0.097*
H59C	0.2967	0.7858	0.4360	0.097*
C60	0.4314 (7)	0.8317 (4)	0.5298 (4)	0.071 (4)
H60A	0.4360	0.8604	0.5112	0.106*
H60B	0.4799	0.8138	0.5196	0.106*
H60C	0.4296	0.8354	0.5721	0.106*
C61	0.4952 (6)	0.7753 (3)	0.7119 (4)	0.036 (2)
H61A	0.4382	0.7635	0.7118	0.054*
H61B	0.5341	0.7534	0.7276	0.054*
H61C	0.5111	0.7826	0.6720	0.054*
C62	0.4790 (6)	0.8062 (3)	0.8113 (3)	0.046 (2)
H62A	0.5185	0.7844	0.8263	0.069*
H62B	0.4218	0.7948	0.8139	0.069*
H62C	0.4838	0.8331	0.8342	0.069*
C63	0.5904 (6)	0.9043 (3)	0.7933 (5)	0.066 (3)
H63A	0.5913	0.9076	0.8357	0.099*
H63B	0.6167	0.9299	0.7755	0.099*
H63C	0.6214	0.8779	0.7826	0.099*
C64	0.4474 (6)	0.9357 (3)	0.7886 (5)	0.066 (3)
H64A	0.4689	0.9631	0.7725	0.098*
H64B	0.4459	0.9378	0.8311	0.098*
H64C	0.3907	0.9305	0.7735	0.098*
C65	0.6288 (5)	0.8505 (3)	0.6650 (4)	0.0317 (19)
H65A	0.6672	0.8755	0.6647	0.048*
H65B	0.6395	0.8320	0.6311	0.048*
H65C	0.6377	0.8336	0.7006	0.048*
C66	0.5280 (5)	0.9029 (2)	0.6201 (3)	0.0290 (18)
H66A	0.5428	0.8928	0.5811	0.043*
H66B	0.5639	0.9276	0.6311	0.043*
H66C	0.4693	0.9122	0.6202	0.043*
C67	0.1048 (6)	0.9256 (3)	0.8791 (4)	0.049 (3)
H67A	0.1037	0.9318	0.9209	0.074*
H67B	0.1143	0.8943	0.8730	0.074*
H67C	0.0511	0.9340	0.8614	0.074*
C68	0.2561 (6)	0.9414 (3)	0.8794 (4)	0.044 (2)
H68A	0.2700	0.9106	0.8736	0.066*
H68B	0.2534	0.9476	0.9211	0.066*
H68C	0.2993	0.9597	0.8617	0.066*
C69	0.2304 (6)	1.0442 (3)	0.8258 (4)	0.041 (2)
H69A	0.1946	1.0687	0.8142	0.061*
H69B	0.2879	1.0545	0.8318	0.061*
H69C	0.2095	1.0315	0.8620	0.061*
C70	0.2677 (6)	1.0235 (3)	0.7241 (4)	0.042 (2)
H70A	0.3254	1.0330	0.7316	0.063*
H70B	0.2357	1.0476	0.7069	0.063*
H70C	0.2678	0.9987	0.6971	0.063*
C71	0.0247 (6)	1.0142 (3)	0.7858 (4)	0.043 (2)
H71A	0.0027	1.0078	0.8245	0.065*
H71B	−0.0218	1.0212	0.7593	0.065*
H71C	0.0631	1.0391	0.7882	0.065*
C72	0.0136 (5)	0.9415 (3)	0.7384 (4)	0.034 (2)
H72A	−0.0250	0.9553	0.7106	0.052*
H72B	−0.0184	0.9278	0.7697	0.052*
H72C	0.0465	0.9191	0.7183	0.052*
Ce4	0.23742 (3)	0.868253 (13)	0.200816 (19)	0.01393 (10)
P13	0.20401 (14)	0.98002 (7)	0.28357 (9)	0.0198 (4)
P14	0.46704 (12)	0.85359 (6)	0.25212 (8)	0.0172 (4)
P15	0.30069 (14)	0.80210 (7)	0.06128 (9)	0.0204 (5)
P16	0.01329 (14)	0.81818 (7)	0.20925 (9)	0.0180 (5)
O31	0.2193 (4)	0.93515 (18)	0.2576 (2)	0.0232 (13)
O32	0.3845 (3)	0.86956 (18)	0.2254 (2)	0.0227 (13)
O33	0.2713 (4)	0.82408 (18)	0.1174 (2)	0.0238 (14)
O34	0.0944 (4)	0.84516 (17)	0.2086 (2)	0.0244 (13)
O35	0.1552 (4)	0.9083 (2)	0.1148 (3)	0.0276 (14)
O36	0.2185 (5)	0.9425 (2)	0.0417 (3)	0.0413 (18)
O37	0.2903 (4)	0.9268 (2)	0.1230 (3)	0.0278 (15)
O38	0.2289 (4)	0.83921 (18)	0.3096 (3)	0.0258 (14)
O39	0.2178 (4)	0.76932 (19)	0.3336 (3)	0.0328 (16)
O40	0.2506 (4)	0.78833 (18)	0.2426 (3)	0.0251 (14)
N43	0.1124 (4)	0.9982 (2)	0.2576 (3)	0.0242 (15)
N44	0.2709 (4)	1.0200 (2)	0.2678 (3)	0.0257 (16)
N45	0.2122 (4)	0.9760 (2)	0.3557 (3)	0.0266 (15)
N46	0.4608 (4)	0.8605 (2)	0.3254 (2)	0.0235 (14)
N47	0.5449 (4)	0.8810 (2)	0.2212 (3)	0.0273 (15)
N48	0.4928 (4)	0.8018 (2)	0.2459 (3)	0.0220 (15)
N49	0.3577 (4)	0.8364 (2)	0.0225 (3)	0.0328 (17)
N50	0.3590 (5)	0.7588 (2)	0.0769 (3)	0.0227 (16)
N51	0.2195 (5)	0.7862 (2)	0.0203 (3)	0.0338 (19)
N52	0.0059 (5)	0.7919 (2)	0.2716 (3)	0.0261 (17)
N53	0.0128 (4)	0.7823 (2)	0.1551 (3)	0.0212 (16)
N54	−0.0679 (4)	0.8521 (2)	0.2019 (3)	0.0242 (16)
N55	0.2231 (5)	0.9268 (2)	0.0919 (3)	0.0220 (16)
N56	0.2327 (4)	0.7973 (2)	0.2963 (3)	0.0195 (16)
C73	0.0469 (5)	0.9664 (3)	0.2382 (4)	0.029 (2)
H73A	0.0037	0.9817	0.2156	0.043*
H73B	0.0214	0.9527	0.2722	0.043*
H73C	0.0726	0.9438	0.2140	0.043*
C74	0.0762 (6)	1.0408 (3)	0.2769 (4)	0.041 (2)
H74A	0.0372	1.0357	0.3088	0.062*
H74B	0.0462	1.0544	0.2442	0.062*
H74C	0.1213	1.0601	0.2901	0.062*
C75	0.2670 (7)	1.0431 (4)	0.2111 (4)	0.059 (3)
H75A	0.3034	1.0283	0.1833	0.089*
H75B	0.2859	1.0733	0.2163	0.089*
H75C	0.2093	1.0429	0.1964	0.089*
C76	0.3560 (6)	1.0217 (3)	0.2958 (4)	0.047 (2)
H76A	0.3735	1.0522	0.3001	0.070*
H76B	0.3963	1.0061	0.2716	0.070*
H76C	0.3538	1.0080	0.3343	0.070*
C77	0.2023 (6)	1.0147 (3)	0.3949 (3)	0.041 (2)
H77A	0.2377	1.0110	0.4295	0.062*
H77B	0.1436	1.0173	0.4065	0.062*
H77C	0.2191	1.0412	0.3742	0.062*
C78	0.1899 (6)	0.9336 (3)	0.3846 (4)	0.034 (2)
H78A	0.1314	0.9345	0.3969	0.051*
H78B	0.2263	0.9291	0.4186	0.051*
H78C	0.1977	0.9095	0.3571	0.051*
C79	0.4155 (5)	0.9006 (2)	0.3460 (3)	0.032 (2)
H79A	0.4510	0.9263	0.3403	0.049*
H79B	0.4026	0.8975	0.3874	0.049*
H79C	0.3633	0.9041	0.3237	0.049*
C80	0.5369 (5)	0.8506 (2)	0.3618 (3)	0.0275 (18)
H80A	0.5202	0.8458	0.4022	0.041*
H80B	0.5761	0.8752	0.3600	0.041*
H80C	0.5642	0.8242	0.3469	0.041*
C81	0.5308 (6)	0.9233 (3)	0.1934 (6)	0.091 (5)
H81A	0.5648	0.9254	0.1583	0.136*
H81B	0.5467	0.9467	0.2204	0.136*
H81C	0.4715	0.9262	0.1829	0.136*
C82	0.6350 (5)	0.8702 (3)	0.2298 (4)	0.039 (2)
H82A	0.6617	0.8929	0.2538	0.058*
H82B	0.6627	0.8688	0.1920	0.058*
H82C	0.6401	0.8420	0.2495	0.058*
C83	0.5227 (6)	0.7853 (3)	0.1878 (4)	0.038 (2)
H83A	0.4757	0.7721	0.1664	0.057*
H83B	0.5665	0.7633	0.1939	0.057*
H83C	0.5454	0.8097	0.1653	0.057*
C84	0.4576 (5)	0.7669 (3)	0.2838 (4)	0.0322 (19)
H84A	0.5020	0.7462	0.2944	0.048*
H84B	0.4128	0.7516	0.2629	0.048*
H84C	0.4351	0.7802	0.3192	0.048*
C85	0.4271 (6)	0.8621 (3)	0.0514 (4)	0.050 (3)
H85A	0.4231	0.8928	0.0397	0.074*
H85B	0.4814	0.8502	0.0395	0.074*
H85C	0.4219	0.8599	0.0937	0.074*
C86	0.3654 (7)	0.8349 (4)	−0.0419 (4)	0.064 (3)
H86A	0.4149	0.8178	−0.0523	0.096*
H86B	0.3709	0.8646	−0.0571	0.096*
H86C	0.3153	0.8212	−0.0588	0.096*
C87	0.4330 (5)	0.7455 (3)	0.0402 (4)	0.038 (2)
H87A	0.4135	0.7269	0.0081	0.057*
H87B	0.4734	0.7293	0.0642	0.057*
H87C	0.4598	0.7716	0.0244	0.057*
C88	0.3298 (6)	0.7254 (3)	0.1196 (4)	0.034 (2)
H88A	0.3780	0.7137	0.1412	0.051*
H88B	0.3015	0.7015	0.0988	0.051*
H88C	0.2906	0.7389	0.1468	0.051*
C89	0.1507 (7)	0.8183 (4)	0.0084 (5)	0.056 (3)
H89A	0.0963	0.8041	0.0136	0.084*
H89B	0.1550	0.8290	−0.0316	0.084*
H89C	0.1557	0.8429	0.0355	0.084*
C90	0.2130 (7)	0.7446 (3)	−0.0109 (4)	0.043 (3)
H90A	0.2112	0.7502	−0.0529	0.064*
H90B	0.1616	0.7295	0.0006	0.064*
H90C	0.2616	0.7264	−0.0015	0.064*
C91	−0.0344 (7)	0.7471 (3)	0.2791 (4)	0.038 (3)
H91A	−0.0888	0.7504	0.2981	0.058*
H91B	0.0021	0.7286	0.3031	0.058*
H91C	−0.0425	0.7335	0.2408	0.058*
C92	0.0140 (7)	0.8152 (4)	0.3277 (4)	0.045 (3)
H92A	0.0532	0.7994	0.3531	0.068*
H92B	−0.0409	0.8168	0.3463	0.068*
H92C	0.0352	0.8448	0.3209	0.068*
C93	0.0824 (6)	0.7501 (3)	0.1500 (4)	0.040 (3)
H93A	0.1067	0.7521	0.1111	0.060*
H93B	0.0606	0.7206	0.1562	0.060*
H93C	0.1255	0.7565	0.1793	0.060*
C94	−0.0619 (6)	0.7700 (3)	0.1196 (4)	0.033 (2)
H94A	−0.0814	0.7410	0.1314	0.049*
H94B	−0.0468	0.7694	0.0784	0.049*
H94C	−0.1066	0.7914	0.1256	0.049*
C95	−0.1524 (5)	0.8425 (3)	0.2243 (4)	0.040 (3)
H95A	−0.1882	0.8320	0.1924	0.060*
H95B	−0.1765	0.8692	0.2407	0.060*
H95C	−0.1485	0.8200	0.2545	0.060*
C96	−0.0648 (5)	0.8879 (3)	0.1576 (4)	0.038 (2)
H96A	−0.0902	0.9144	0.1737	0.056*
H96B	−0.0958	0.8790	0.1226	0.056*
H96C	−0.0064	0.8939	0.1476	0.056*

	U11	U22	U33	U12	U13	U23
W1	0.01705 (18)	0.01836 (19)	0.01421 (16)	−0.00015 (12)	0.00113 (13)	−0.00098 (13)
W2	0.01651 (18)	0.02086 (19)	0.01315 (16)	0.00243 (13)	0.00137 (13)	0.00264 (13)
W3	0.01681 (18)	0.01789 (19)	0.01512 (17)	−0.00130 (12)	0.00127 (13)	−0.00188 (13)
W4	0.01607 (18)	0.01805 (19)	0.01398 (16)	−0.00043 (12)	0.00208 (13)	0.00047 (13)
Ag1	0.0426 (5)	0.0317 (4)	0.0156 (3)	0.0019 (3)	0.0014 (3)	0.0021 (3)
Ag2	0.0432 (5)	0.0348 (4)	0.0155 (3)	0.0027 (3)	0.0013 (3)	−0.0010 (3)
Ag3	0.0446 (5)	0.0320 (4)	0.0154 (3)	−0.0002 (3)	0.0013 (3)	0.0000 (3)
Ag4	0.0462 (5)	0.0337 (4)	0.0150 (3)	−0.0002 (3)	0.0013 (3)	−0.0017 (3)
S1	0.0197 (12)	0.0375 (12)	0.0225 (11)	−0.0053 (9)	0.0052 (9)	−0.0048 (10)
S2	0.0213 (12)	0.0328 (11)	0.0191 (10)	0.0025 (9)	−0.0006 (8)	0.0004 (9)
S3	0.0328 (13)	0.0169 (10)	0.0224 (11)	0.0026 (9)	0.0010 (9)	−0.0014 (9)
S4	0.0275 (13)	0.0220 (11)	0.0204 (11)	0.0015 (9)	−0.0002 (9)	−0.0053 (9)
S5	0.0196 (12)	0.0491 (14)	0.0226 (11)	0.0073 (10)	0.0047 (9)	0.0046 (11)
S6	0.0196 (12)	0.0343 (12)	0.0247 (11)	0.0004 (9)	−0.0025 (9)	0.0025 (10)
S7	0.0307 (13)	0.0216 (10)	0.0188 (10)	0.0024 (9)	−0.0001 (9)	0.0048 (9)
S8	0.0366 (14)	0.0225 (11)	0.0246 (12)	0.0028 (9)	−0.0016 (10)	0.0053 (10)
S9	0.0209 (12)	0.0370 (12)	0.0202 (11)	−0.0084 (9)	0.0055 (9)	−0.0019 (10)
S10	0.0217 (11)	0.0280 (11)	0.0211 (10)	−0.0009 (9)	−0.0004 (8)	0.0008 (9)
S11	0.0254 (12)	0.0159 (10)	0.0230 (11)	0.0006 (8)	0.0013 (9)	−0.0010 (9)
S12	0.0275 (12)	0.0218 (10)	0.0196 (10)	−0.0014 (9)	0.0015 (9)	−0.0074 (9)
S13	0.0214 (12)	0.0288 (11)	0.0207 (11)	0.0057 (9)	0.0061 (9)	0.0018 (9)
S14	0.0221 (12)	0.0349 (12)	0.0227 (11)	−0.0067 (9)	−0.0009 (9)	−0.0012 (10)
S15	0.0262 (12)	0.0240 (11)	0.0229 (11)	−0.0002 (9)	0.0039 (9)	0.0058 (9)
S16	0.0277 (12)	0.0238 (11)	0.0176 (10)	0.0011 (9)	0.0028 (8)	0.0004 (9)
Ce1	0.0114 (2)	0.0133 (2)	0.0156 (2)	−0.00090 (16)	−0.00033 (16)	0.00136 (19)
P1	0.0173 (11)	0.0195 (10)	0.0222 (10)	−0.0007 (8)	0.0019 (8)	0.0046 (9)
P2	0.0174 (11)	0.0353 (12)	0.0277 (11)	−0.0073 (9)	−0.0052 (8)	0.0077 (10)
P3	0.0264 (12)	0.0208 (10)	0.0215 (11)	0.0007 (9)	0.0057 (9)	0.0032 (9)
P4	0.0156 (11)	0.0182 (10)	0.0205 (11)	0.0002 (8)	0.0005 (8)	−0.0034 (9)
O1	0.020 (3)	0.015 (3)	0.019 (3)	−0.002 (2)	0.003 (2)	0.006 (2)
O2	0.013 (3)	0.025 (3)	0.034 (3)	−0.002 (2)	−0.004 (2)	0.003 (3)
O3	0.024 (3)	0.019 (3)	0.018 (3)	−0.004 (2)	0.005 (2)	0.005 (2)
O4	0.008 (3)	0.022 (3)	0.032 (3)	−0.002 (2)	−0.004 (2)	0.005 (2)
O5	0.036 (4)	0.026 (3)	0.030 (3)	−0.006 (3)	0.000 (3)	0.002 (3)
O6	0.127 (8)	0.041 (4)	0.046 (4)	−0.028 (5)	0.015 (5)	−0.023 (4)
O7	0.042 (4)	0.019 (3)	0.029 (3)	−0.006 (3)	−0.007 (3)	0.008 (3)
O8	0.016 (3)	0.024 (3)	0.029 (3)	−0.003 (2)	0.001 (2)	−0.001 (2)
O9	0.039 (4)	0.026 (3)	0.033 (4)	−0.007 (3)	0.002 (3)	−0.006 (3)
O10	0.019 (3)	0.018 (3)	0.027 (3)	0.003 (2)	−0.003 (2)	−0.003 (2)
N1	0.014 (4)	0.030 (4)	0.038 (4)	−0.007 (3)	0.000 (3)	0.014 (3)
N2	0.047 (5)	0.029 (4)	0.023 (4)	−0.008 (3)	0.010 (3)	−0.008 (3)
N3	0.023 (4)	0.023 (3)	0.024 (3)	0.006 (3)	−0.002 (3)	0.000 (3)
N4	0.036 (5)	0.070 (6)	0.049 (5)	−0.008 (4)	0.001 (4)	−0.018 (5)
N5	0.018 (4)	0.079 (6)	0.064 (5)	0.008 (4)	0.000 (4)	0.045 (5)
N6	0.012 (4)	0.039 (4)	0.050 (4)	−0.005 (3)	0.005 (3)	0.002 (4)
N7	0.024 (4)	0.023 (3)	0.030 (4)	−0.003 (3)	0.001 (3)	−0.004 (3)
N8	0.050 (5)	0.036 (4)	0.023 (4)	0.014 (3)	0.023 (3)	0.010 (3)
N9	0.023 (4)	0.026 (4)	0.023 (4)	0.000 (3)	0.005 (3)	−0.002 (3)
N10	0.015 (4)	0.018 (3)	0.026 (4)	0.001 (3)	−0.004 (3)	0.003 (3)
N11	0.018 (4)	0.019 (3)	0.023 (3)	0.000 (3)	−0.001 (3)	−0.002 (3)
N12	0.032 (4)	0.021 (4)	0.033 (4)	0.002 (3)	0.002 (3)	−0.008 (3)
N13	0.026 (4)	0.014 (3)	0.021 (4)	−0.005 (3)	−0.001 (3)	−0.002 (3)
N14	0.045 (6)	0.028 (4)	0.045 (5)	−0.002 (4)	−0.002 (4)	−0.021 (4)
C1	0.019 (5)	0.037 (5)	0.042 (5)	0.004 (4)	0.004 (4)	−0.002 (4)
C2	0.033 (6)	0.059 (6)	0.085 (8)	−0.019 (5)	0.000 (5)	0.038 (6)
C3	0.078 (10)	0.212 (17)	0.026 (6)	0.052 (10)	0.006 (6)	−0.031 (8)
C4	0.063 (8)	0.083 (8)	0.024 (5)	−0.025 (6)	−0.006 (5)	−0.015 (5)
C5	0.051 (6)	0.024 (4)	0.055 (6)	−0.001 (4)	−0.008 (5)	0.014 (4)
C6	0.026 (5)	0.026 (4)	0.046 (5)	0.008 (4)	−0.006 (4)	−0.013 (4)
C7	0.036 (6)	0.066 (8)	0.110 (10)	0.028 (5)	−0.040 (6)	−0.060 (8)
C8	0.098 (11)	0.209 (17)	0.048 (7)	−0.080 (11)	0.030 (7)	−0.065 (9)
C9	0.034 (5)	0.029 (4)	0.055 (6)	−0.004 (4)	−0.011 (4)	0.004 (4)
C10	0.026 (6)	0.146 (12)	0.103 (9)	0.008 (7)	0.001 (6)	0.080 (9)
C11	0.034 (6)	0.063 (7)	0.078 (7)	−0.015 (5)	0.012 (5)	−0.003 (6)
C12	0.048 (6)	0.053 (6)	0.039 (5)	−0.002 (5)	0.014 (4)	−0.001 (5)
C13	0.038 (6)	0.016 (4)	0.030 (5)	−0.009 (4)	0.005 (4)	−0.008 (4)
C14	0.035 (5)	0.033 (5)	0.069 (6)	−0.004 (4)	0.006 (5)	0.004 (5)
C15	0.061 (6)	0.033 (4)	0.027 (4)	−0.014 (4)	0.033 (4)	−0.008 (4)
C16	0.073 (8)	0.043 (5)	0.042 (5)	0.018 (5)	0.029 (5)	0.016 (5)
C17	0.035 (5)	0.031 (5)	0.024 (4)	0.002 (4)	−0.005 (4)	0.004 (4)
C18	0.038 (6)	0.041 (6)	0.039 (5)	0.004 (5)	−0.008 (4)	−0.004 (5)
C19	0.031 (5)	0.019 (4)	0.035 (5)	−0.005 (4)	0.000 (4)	0.000 (4)
C20	0.030 (5)	0.032 (5)	0.023 (4)	0.001 (4)	−0.007 (4)	0.005 (4)
C21	0.026 (5)	0.021 (4)	0.033 (4)	−0.001 (3)	−0.004 (4)	−0.011 (4)
C22	0.018 (5)	0.042 (5)	0.048 (6)	0.003 (4)	−0.004 (4)	0.009 (5)
C23	0.036 (6)	0.035 (5)	0.039 (5)	−0.001 (4)	0.006 (4)	−0.019 (4)
C24	0.037 (6)	0.033 (5)	0.028 (5)	0.001 (4)	−0.001 (4)	−0.005 (4)
Ce2	0.0105 (2)	0.0135 (2)	0.0153 (2)	−0.00026 (16)	0.00115 (16)	0.00153 (18)
P5	0.0228 (12)	0.0178 (10)	0.0198 (10)	−0.0028 (8)	−0.0006 (8)	0.0031 (9)
P6	0.0131 (10)	0.0177 (10)	0.0217 (10)	−0.0017 (7)	−0.0006 (8)	−0.0003 (8)
P7	0.0211 (11)	0.0218 (10)	0.0155 (10)	0.0000 (8)	0.0037 (8)	0.0041 (9)
P8	0.0109 (11)	0.0202 (10)	0.0258 (11)	0.0000 (8)	0.0018 (8)	−0.0042 (9)
O11	0.023 (3)	0.016 (3)	0.014 (3)	0.001 (2)	0.002 (2)	0.001 (2)
O12	0.011 (3)	0.026 (3)	0.024 (3)	−0.004 (2)	−0.007 (2)	0.002 (2)
O13	0.020 (3)	0.019 (3)	0.023 (3)	−0.002 (2)	0.001 (2)	0.006 (2)
O14	0.007 (3)	0.023 (3)	0.022 (3)	−0.001 (2)	0.004 (2)	−0.001 (2)
O15	0.012 (3)	0.026 (3)	0.027 (3)	−0.004 (2)	0.008 (2)	−0.004 (2)
O16	0.055 (5)	0.048 (4)	0.023 (3)	−0.007 (3)	0.009 (3)	−0.019 (3)
O17	0.021 (3)	0.026 (3)	0.032 (3)	0.008 (2)	0.001 (3)	−0.005 (3)
O18	0.023 (3)	0.024 (3)	0.020 (3)	0.002 (2)	0.001 (2)	0.002 (3)
O19	0.071 (5)	0.036 (4)	0.030 (4)	−0.018 (3)	0.011 (3)	−0.027 (3)
O20	0.032 (4)	0.022 (3)	0.021 (3)	−0.001 (3)	0.004 (3)	0.005 (3)
N15	0.023 (4)	0.021 (3)	0.047 (4)	−0.007 (3)	−0.009 (3)	0.007 (3)
N16	0.029 (4)	0.024 (3)	0.034 (4)	−0.004 (3)	0.002 (3)	0.012 (3)
N17	0.021 (4)	0.023 (4)	0.040 (4)	0.003 (3)	−0.005 (3)	−0.004 (3)
N18	0.021 (3)	0.022 (3)	0.028 (3)	−0.004 (3)	−0.005 (3)	0.009 (3)
N19	0.013 (4)	0.041 (4)	0.048 (4)	0.000 (3)	−0.004 (3)	−0.030 (4)
N20	0.028 (4)	0.014 (3)	0.025 (3)	−0.004 (3)	−0.007 (3)	0.000 (3)
N21	0.040 (5)	0.038 (4)	0.017 (3)	0.001 (3)	0.013 (3)	−0.007 (3)
N22	0.030 (4)	0.024 (4)	0.024 (4)	−0.007 (3)	0.003 (3)	−0.001 (3)
N23	0.026 (4)	0.035 (4)	0.031 (4)	−0.006 (3)	−0.002 (3)	0.009 (3)
N24	0.018 (4)	0.019 (3)	0.030 (4)	0.005 (3)	−0.009 (3)	−0.001 (3)
N25	0.015 (4)	0.028 (4)	0.040 (4)	0.002 (3)	0.001 (3)	−0.010 (3)
N26	0.025 (4)	0.026 (4)	0.019 (4)	0.002 (3)	0.005 (3)	−0.006 (3)
N27	0.045 (5)	0.021 (4)	0.020 (4)	−0.007 (3)	0.010 (3)	−0.003 (3)
N28	0.027 (5)	0.044 (5)	0.025 (4)	−0.007 (4)	0.006 (3)	−0.007 (4)
C25	0.013 (5)	0.050 (6)	0.045 (5)	0.004 (4)	0.004 (4)	0.005 (5)
C26	0.036 (6)	0.038 (5)	0.103 (8)	−0.019 (5)	−0.027 (6)	0.015 (6)
C27	0.054 (6)	0.042 (5)	0.034 (5)	−0.006 (4)	0.004 (4)	0.012 (4)
C28	0.064 (7)	0.036 (5)	0.023 (5)	−0.002 (5)	0.005 (5)	−0.005 (4)
C29	0.043 (6)	0.038 (5)	0.051 (5)	0.014 (4)	−0.009 (4)	−0.004 (5)
C30	0.064 (8)	0.077 (8)	0.063 (7)	0.022 (6)	−0.015 (6)	−0.037 (7)
C31	0.031 (5)	0.035 (4)	0.034 (4)	−0.011 (4)	−0.009 (4)	0.018 (4)
C32	0.035 (5)	0.043 (5)	0.036 (4)	0.000 (4)	−0.011 (4)	0.010 (4)
C33	0.017 (4)	0.042 (5)	0.064 (6)	0.008 (4)	−0.008 (4)	−0.034 (5)
C34	0.025 (5)	0.071 (7)	0.054 (5)	0.003 (5)	−0.003 (4)	−0.037 (5)
C35	0.030 (5)	0.017 (4)	0.050 (5)	−0.001 (3)	−0.005 (4)	−0.007 (4)
C36	0.056 (7)	0.034 (5)	0.039 (5)	−0.018 (5)	−0.004 (5)	0.018 (4)
C37	0.035 (6)	0.042 (5)	0.081 (7)	0.015 (4)	0.028 (5)	−0.020 (5)
C38	0.075 (9)	0.079 (8)	0.037 (6)	−0.010 (6)	0.011 (5)	−0.027 (6)
C39	0.057 (7)	0.036 (5)	0.038 (5)	−0.015 (4)	0.020 (5)	−0.003 (4)
C40	0.039 (6)	0.031 (5)	0.041 (5)	−0.003 (4)	0.009 (4)	0.000 (4)
C41	0.043 (6)	0.040 (5)	0.030 (5)	0.010 (4)	0.004 (4)	0.014 (4)
C42	0.044 (7)	0.042 (5)	0.064 (7)	−0.022 (5)	−0.018 (5)	0.014 (5)
C43	0.022 (5)	0.024 (4)	0.043 (5)	−0.006 (3)	0.002 (4)	0.012 (4)
C44	0.035 (6)	0.029 (5)	0.069 (7)	0.013 (4)	−0.025 (5)	0.002 (5)
C45	0.037 (5)	0.017 (4)	0.046 (5)	0.002 (3)	−0.011 (4)	−0.006 (4)
C46	0.026 (6)	0.047 (6)	0.065 (7)	0.000 (4)	0.008 (5)	−0.008 (5)
C47	0.040 (7)	0.067 (7)	0.048 (6)	−0.012 (5)	0.019 (5)	−0.019 (6)
C48	0.029 (6)	0.060 (6)	0.033 (5)	0.000 (5)	0.013 (4)	0.005 (5)
Ce3	0.0116 (2)	0.0123 (2)	0.0149 (2)	0.00061 (16)	0.00046 (16)	−0.00151 (18)
P9	0.0115 (10)	0.0173 (10)	0.0251 (11)	−0.0015 (8)	0.0010 (8)	0.0005 (9)
P10	0.0236 (12)	0.0197 (10)	0.0156 (10)	−0.0034 (9)	0.0041 (8)	−0.0046 (9)
P11	0.0144 (10)	0.0231 (10)	0.0221 (10)	0.0019 (8)	−0.0021 (8)	−0.0052 (9)
P12	0.0200 (11)	0.0144 (9)	0.0192 (10)	0.0026 (8)	0.0024 (8)	−0.0029 (8)
O21	0.018 (3)	0.021 (3)	0.022 (3)	−0.001 (2)	0.002 (2)	0.002 (2)
O22	0.029 (3)	0.016 (3)	0.025 (3)	0.000 (2)	0.003 (2)	−0.004 (2)
O23	0.007 (3)	0.031 (3)	0.025 (3)	−0.001 (2)	−0.003 (2)	−0.003 (3)
O24	0.018 (3)	0.018 (3)	0.023 (3)	0.003 (2)	0.000 (2)	−0.008 (2)
O25	0.022 (3)	0.018 (3)	0.030 (3)	−0.007 (2)	−0.006 (2)	0.008 (2)
O26	0.034 (4)	0.050 (4)	0.026 (3)	0.004 (3)	−0.001 (3)	0.022 (3)
O27	0.020 (3)	0.033 (3)	0.025 (3)	−0.006 (2)	0.003 (3)	0.002 (3)
O28	0.032 (4)	0.017 (3)	0.021 (3)	0.011 (2)	0.005 (2)	−0.001 (2)
O29	0.087 (6)	0.040 (4)	0.030 (4)	0.020 (4)	0.012 (4)	0.018 (3)
O30	0.041 (4)	0.023 (3)	0.024 (3)	0.006 (3)	0.005 (3)	0.000 (3)
N29	0.026 (4)	0.027 (4)	0.012 (3)	−0.002 (3)	0.005 (3)	0.002 (3)
N30	0.010 (4)	0.031 (4)	0.027 (4)	0.000 (3)	−0.002 (3)	−0.004 (3)
N31	0.015 (4)	0.019 (3)	0.029 (4)	0.001 (3)	0.005 (3)	0.004 (3)
N32	0.028 (4)	0.025 (4)	0.025 (4)	0.008 (3)	0.007 (3)	−0.012 (3)
N33	0.027 (4)	0.024 (4)	0.028 (4)	−0.002 (3)	−0.003 (3)	−0.014 (3)
N34	0.034 (4)	0.040 (4)	0.020 (3)	−0.021 (3)	0.003 (3)	−0.006 (3)
N35	0.029 (4)	0.021 (3)	0.023 (3)	0.002 (3)	0.007 (3)	0.002 (3)
N36	0.014 (3)	0.043 (4)	0.046 (4)	0.009 (3)	−0.013 (3)	−0.030 (3)
N37	0.017 (3)	0.023 (3)	0.027 (3)	0.001 (3)	−0.003 (3)	0.006 (3)
N38	0.026 (4)	0.037 (4)	0.019 (3)	0.001 (3)	0.005 (3)	−0.004 (3)
N39	0.026 (4)	0.011 (3)	0.037 (4)	0.001 (3)	0.002 (3)	−0.009 (3)
N40	0.024 (4)	0.015 (3)	0.025 (3)	0.007 (3)	−0.002 (3)	−0.003 (3)
N41	0.018 (4)	0.023 (3)	0.019 (4)	0.002 (3)	0.002 (3)	0.001 (3)
N42	0.034 (4)	0.021 (4)	0.016 (3)	0.009 (3)	−0.003 (3)	0.002 (3)
C49	0.053 (7)	0.037 (5)	0.024 (5)	−0.009 (5)	−0.001 (4)	0.001 (4)
C50	0.039 (6)	0.014 (4)	0.043 (5)	−0.005 (4)	0.017 (4)	0.011 (4)
C51	0.023 (5)	0.019 (4)	0.037 (5)	0.000 (3)	−0.001 (4)	−0.003 (4)
C52	0.013 (4)	0.031 (5)	0.047 (5)	0.000 (3)	0.000 (4)	−0.005 (4)
C53	0.017 (5)	0.027 (4)	0.041 (5)	0.007 (3)	0.009 (4)	−0.006 (4)
C54	0.017 (4)	0.031 (5)	0.040 (5)	0.006 (3)	−0.011 (4)	−0.006 (4)
C55	0.041 (6)	0.070 (7)	0.059 (6)	0.023 (5)	0.017 (5)	−0.020 (6)
C56	0.044 (6)	0.013 (4)	0.023 (4)	−0.010 (4)	−0.005 (4)	0.001 (4)
C57	0.043 (6)	0.033 (5)	0.040 (5)	−0.006 (4)	0.003 (4)	−0.030 (5)
C58	0.031 (6)	0.049 (6)	0.043 (6)	0.001 (5)	−0.001 (4)	−0.008 (5)
C59	0.080 (9)	0.095 (9)	0.019 (5)	−0.053 (7)	0.003 (5)	−0.003 (5)
C60	0.088 (9)	0.092 (8)	0.032 (5)	−0.058 (7)	0.007 (5)	−0.005 (5)
C61	0.037 (5)	0.026 (4)	0.046 (5)	0.001 (4)	−0.003 (4)	0.002 (4)
C62	0.051 (6)	0.057 (6)	0.030 (5)	0.021 (5)	0.004 (4)	0.025 (4)
C63	0.035 (6)	0.072 (7)	0.090 (8)	0.007 (5)	−0.025 (5)	−0.060 (6)
C64	0.035 (6)	0.078 (8)	0.083 (8)	0.009 (5)	−0.017 (5)	−0.049 (7)
C65	0.021 (5)	0.031 (4)	0.044 (5)	0.003 (4)	0.006 (4)	0.005 (4)
C66	0.018 (4)	0.032 (4)	0.037 (4)	−0.001 (3)	0.000 (3)	0.012 (4)
C67	0.046 (6)	0.063 (6)	0.038 (5)	−0.020 (5)	0.000 (4)	0.010 (5)
C68	0.058 (7)	0.050 (6)	0.023 (5)	0.002 (5)	−0.007 (4)	0.001 (4)
C69	0.043 (6)	0.024 (4)	0.055 (5)	0.000 (4)	−0.007 (4)	−0.014 (4)
C70	0.032 (6)	0.037 (5)	0.057 (6)	−0.010 (4)	−0.001 (5)	0.009 (5)
C71	0.025 (5)	0.037 (5)	0.068 (6)	0.008 (4)	0.000 (4)	−0.024 (5)
C72	0.026 (5)	0.039 (5)	0.038 (5)	0.008 (4)	−0.001 (4)	0.003 (4)
Ce4	0.0111 (2)	0.0124 (2)	0.0183 (2)	0.00022 (16)	0.00083 (16)	−0.00175 (18)
P13	0.0233 (12)	0.0144 (10)	0.0216 (10)	0.0010 (8)	0.0041 (8)	−0.0045 (9)
P14	0.0120 (10)	0.0173 (9)	0.0222 (10)	−0.0002 (7)	−0.0003 (8)	0.0010 (8)
P15	0.0228 (11)	0.0171 (10)	0.0215 (10)	0.0014 (8)	0.0036 (8)	−0.0009 (9)
P16	0.0119 (11)	0.0187 (10)	0.0234 (11)	−0.0017 (8)	0.0018 (8)	0.0004 (9)
O31	0.026 (3)	0.020 (3)	0.023 (3)	0.004 (2)	0.006 (2)	−0.004 (2)
O32	0.014 (3)	0.024 (3)	0.030 (3)	0.002 (2)	−0.004 (2)	0.000 (3)
O33	0.026 (3)	0.028 (3)	0.018 (3)	0.006 (2)	0.005 (2)	−0.015 (2)
O34	0.022 (3)	0.017 (3)	0.034 (3)	−0.006 (2)	−0.002 (2)	−0.002 (2)
O35	0.016 (3)	0.033 (3)	0.034 (3)	0.001 (2)	0.004 (2)	0.012 (3)
O36	0.051 (5)	0.040 (4)	0.033 (4)	0.001 (3)	0.005 (3)	0.016 (3)
O37	0.027 (4)	0.029 (3)	0.027 (3)	−0.009 (3)	0.006 (3)	0.000 (3)
O38	0.030 (4)	0.017 (3)	0.030 (3)	0.003 (2)	−0.003 (3)	0.002 (3)
O39	0.054 (4)	0.018 (3)	0.026 (3)	−0.002 (3)	0.001 (3)	0.007 (3)
O40	0.033 (4)	0.013 (3)	0.029 (3)	0.007 (2)	0.000 (3)	−0.007 (3)
N43	0.027 (4)	0.018 (3)	0.028 (3)	0.005 (3)	−0.001 (3)	−0.007 (3)
N44	0.036 (4)	0.014 (3)	0.027 (4)	−0.001 (3)	0.007 (3)	0.006 (3)
N45	0.040 (4)	0.019 (3)	0.021 (3)	−0.002 (3)	0.009 (3)	−0.007 (3)
N46	0.016 (3)	0.030 (3)	0.024 (3)	0.008 (3)	−0.006 (2)	−0.011 (3)
N47	0.009 (3)	0.034 (4)	0.039 (4)	0.001 (3)	0.001 (3)	0.023 (3)
N48	0.025 (4)	0.020 (3)	0.021 (3)	−0.002 (3)	0.007 (3)	0.003 (3)
N49	0.033 (4)	0.036 (4)	0.029 (4)	0.003 (3)	0.010 (3)	0.003 (3)
N50	0.029 (4)	0.019 (3)	0.021 (3)	−0.002 (3)	0.012 (3)	0.001 (3)
N51	0.037 (5)	0.035 (4)	0.029 (4)	0.000 (3)	−0.005 (3)	−0.012 (3)
N52	0.028 (4)	0.029 (4)	0.021 (4)	−0.006 (3)	−0.004 (3)	0.004 (3)
N53	0.017 (4)	0.028 (4)	0.020 (3)	0.000 (3)	0.001 (3)	−0.003 (3)
N54	0.015 (4)	0.022 (3)	0.036 (4)	0.003 (3)	0.003 (3)	0.002 (3)
N55	0.024 (4)	0.017 (3)	0.025 (4)	0.003 (3)	−0.001 (3)	−0.001 (3)
N56	0.017 (4)	0.014 (3)	0.027 (4)	0.002 (3)	−0.010 (3)	−0.001 (3)
C73	0.018 (5)	0.032 (5)	0.035 (5)	0.009 (4)	0.000 (4)	0.003 (4)
C74	0.046 (6)	0.028 (5)	0.051 (5)	0.019 (4)	−0.004 (4)	−0.007 (4)
C75	0.057 (7)	0.066 (7)	0.055 (6)	−0.015 (6)	0.004 (5)	0.035 (6)
C76	0.031 (5)	0.036 (5)	0.073 (6)	−0.008 (4)	−0.008 (5)	0.010 (5)
C77	0.059 (7)	0.030 (5)	0.035 (5)	0.006 (4)	−0.002 (4)	−0.013 (4)
C78	0.048 (6)	0.027 (5)	0.028 (5)	0.004 (4)	0.010 (4)	0.001 (4)
C79	0.031 (5)	0.033 (4)	0.033 (4)	0.011 (4)	0.003 (4)	−0.017 (4)
C80	0.023 (4)	0.026 (4)	0.034 (4)	0.006 (3)	−0.008 (3)	0.000 (4)
C81	0.033 (6)	0.061 (7)	0.179 (13)	−0.001 (5)	0.014 (7)	0.081 (8)
C82	0.007 (4)	0.044 (5)	0.065 (6)	0.002 (4)	0.001 (4)	0.027 (5)
C83	0.043 (6)	0.036 (5)	0.037 (5)	0.013 (4)	0.002 (4)	−0.012 (4)
C84	0.026 (5)	0.028 (4)	0.043 (5)	−0.001 (4)	−0.004 (4)	0.006 (4)
C85	0.046 (6)	0.040 (5)	0.063 (6)	−0.022 (4)	0.029 (5)	−0.012 (5)
C86	0.066 (8)	0.092 (9)	0.034 (5)	0.012 (6)	0.015 (5)	0.025 (6)
C87	0.033 (5)	0.036 (5)	0.045 (5)	0.009 (4)	0.010 (4)	0.000 (4)
C88	0.042 (6)	0.021 (5)	0.039 (5)	−0.003 (4)	0.010 (4)	−0.005 (4)
C89	0.040 (6)	0.068 (8)	0.059 (7)	0.008 (5)	−0.021 (5)	−0.017 (6)
C90	0.058 (7)	0.043 (6)	0.028 (5)	−0.006 (5)	0.005 (4)	−0.017 (5)
C91	0.047 (7)	0.022 (5)	0.046 (6)	−0.023 (4)	0.010 (5)	0.005 (4)
C92	0.056 (7)	0.049 (6)	0.031 (5)	−0.013 (5)	0.000 (5)	0.003 (5)
C93	0.041 (6)	0.042 (6)	0.036 (5)	−0.004 (5)	−0.011 (4)	−0.008 (5)
C94	0.026 (5)	0.038 (5)	0.034 (5)	−0.009 (4)	−0.004 (4)	−0.003 (4)
C95	0.007 (4)	0.050 (6)	0.064 (7)	0.008 (4)	0.007 (4)	0.004 (5)
C96	0.014 (4)	0.041 (5)	0.057 (6)	0.005 (4)	−0.015 (4)	−0.001 (5)

W1—S2	2.202 (2)	C42—H42A	0.9600
W1—S1	2.203 (2)	C42—H42B	0.9600
W1—S4	2.205 (2)	C42—H42C	0.9600
W1—S3	2.217 (2)	C43—H43A	0.9600
W1—Ag1	2.9307 (9)	C43—H43B	0.9600
W1—Ag4	2.9424 (9)	C43—H43C	0.9600
W2—S5	2.203 (2)	C44—H44A	0.9600
W2—S6	2.206 (2)	C44—H44B	0.9600
W2—S8	2.208 (2)	C44—H44C	0.9600
W2—S7	2.209 (2)	C45—H45A	0.9600
W2—Ag2	2.9320 (9)	C45—H45B	0.9600
W2—Ag1	2.9458 (9)	C45—H45C	0.9600
W3—S9	2.196 (2)	C46—H46A	0.9600
W3—S12	2.207 (2)	C46—H46B	0.9600
W3—S10	2.207 (2)	C46—H46C	0.9600
W3—S11	2.216 (2)	C47—H47A	0.9600
W3—Ag2	2.9300 (9)	C47—H47B	0.9600
W3—Ag3	2.9307 (9)	C47—H47C	0.9600
W4—S13	2.201 (2)	C48—H48A	0.9600
W4—S14	2.207 (2)	C48—H48B	0.9600
W4—S16	2.207 (2)	C48—H48C	0.9600
W4—S15	2.211 (2)	Ce3—O23	2.358 (5)
W4—Ag4i	2.9292 (9)	Ce3—O21	2.372 (6)
W4—Ag3	2.9402 (9)	Ce3—O22	2.375 (5)
Ag1—S3	2.479 (2)	Ce3—O24	2.406 (5)
Ag1—S4	2.572 (2)	Ce3—O30	2.580 (6)
Ag1—S6	2.605 (3)	Ce3—O25	2.589 (5)
Ag1—S5	2.626 (3)	Ce3—O28	2.593 (6)
Ag2—S8	2.480 (2)	Ce3—O27	2.599 (6)
Ag2—S7	2.571 (2)	Ce3—N41	3.023 (7)
Ag2—S9	2.600 (3)	Ce3—N42	3.025 (7)
Ag2—S10	2.602 (2)	P9—O21	1.510 (6)
Ag3—S11	2.476 (2)	P9—N29	1.610 (7)
Ag3—S12	2.568 (2)	P9—N30	1.633 (7)
Ag3—S14	2.616 (2)	P9—N31	1.641 (7)
Ag3—S13	2.650 (3)	P10—O22	1.494 (6)
Ag4—S16ii	2.487 (2)	P10—N32	1.624 (7)
Ag4—S15ii	2.577 (2)	P10—N34	1.627 (7)
Ag4—S2	2.633 (2)	P10—N33	1.630 (7)
Ag4—S1	2.643 (3)	P11—O23	1.506 (5)
Ag4—W4ii	2.9292 (9)	P11—N35	1.615 (6)
S15—Ag4i	2.577 (2)	P11—N36	1.632 (6)
S16—Ag4i	2.487 (2)	P11—N37	1.653 (6)
Ce1—O2	2.363 (5)	P12—O24	1.502 (5)
Ce1—O4	2.382 (5)	P12—N40	1.631 (7)
Ce1—O3	2.391 (5)	P12—N39	1.638 (6)
Ce1—O1	2.409 (5)	P12—N38	1.645 (7)
Ce1—O7	2.576 (6)	O25—N41	1.284 (9)
Ce1—O8	2.583 (6)	O26—N41	1.230 (9)
Ce1—O10	2.595 (5)	O27—N41	1.262 (9)
Ce1—O5	2.628 (6)	O28—N42	1.264 (9)
Ce1—N14	3.002 (8)	O29—N42	1.199 (9)
Ce1—N13	3.021 (7)	O30—N42	1.306 (9)
P1—O1	1.486 (5)	N29—C50	1.463 (10)
P1—N1	1.628 (7)	N29—C49	1.473 (11)
P1—N3	1.631 (6)	N30—C52	1.441 (10)
P1—N2	1.647 (7)	N30—C51	1.474 (10)
P2—O2	1.502 (6)	N31—C53	1.450 (10)
P2—N4	1.589 (8)	N31—C54	1.471 (10)
P2—N6	1.614 (7)	N32—C55	1.463 (10)
P2—N5	1.634 (7)	N32—C56	1.485 (10)
P3—O3	1.491 (5)	N33—C58	1.434 (12)
P3—N8	1.641 (7)	N33—C57	1.464 (10)
P3—N9	1.642 (7)	N34—C59	1.459 (10)
P3—N7	1.645 (7)	N34—C60	1.466 (11)
P4—O4	1.490 (6)	N35—C62	1.464 (10)
P4—N11	1.632 (7)	N35—C61	1.480 (10)
P4—N12	1.635 (7)	N36—C64	1.400 (10)
P4—N10	1.637 (7)	N36—C63	1.481 (10)
O5—N14	1.282 (10)	N37—C66	1.459 (9)
O6—N14	1.228 (10)	N37—C65	1.470 (9)
O7—N14	1.258 (10)	N38—C68	1.455 (11)
O8—N13	1.240 (9)	N38—C67	1.461 (10)
O9—N13	1.214 (9)	N39—C70	1.441 (10)
O10—N13	1.279 (9)	N39—C69	1.466 (9)
N1—C1	1.458 (10)	N40—C72	1.456 (10)
N1—C2	1.476 (10)	N40—C71	1.471 (9)
N2—C3	1.407 (12)	C49—H49A	0.9600
N2—C4	1.460 (11)	C49—H49B	0.9600
N3—C6	1.462 (9)	C49—H49C	0.9600
N3—C5	1.473 (9)	C50—H50A	0.9600
N4—C7	1.449 (13)	C50—H50B	0.9600
N4—C8	1.471 (12)	C50—H50C	0.9600
N5—C9	1.406 (10)	C51—H51A	0.9600
N5—C10	1.472 (11)	C51—H51B	0.9600
N6—C11	1.452 (10)	C51—H51C	0.9600
N6—C12	1.460 (10)	C52—H52A	0.9600
N7—C13	1.449 (10)	C52—H52B	0.9600
N7—C14	1.458 (11)	C52—H52C	0.9600
N8—C15	1.419 (10)	C53—H53A	0.9600
N8—C16	1.465 (10)	C53—H53B	0.9600
N9—C17	1.458 (10)	C53—H53C	0.9600
N9—C18	1.475 (11)	C54—H54A	0.9600
N10—C19	1.448 (11)	C54—H54B	0.9600
N10—C20	1.461 (10)	C54—H54C	0.9600
N11—C21	1.454 (9)	C55—H55A	0.9600
N11—C22	1.481 (11)	C55—H55B	0.9600
N12—C23	1.443 (11)	C55—H55C	0.9600
N12—C24	1.476 (11)	C56—H56A	0.9600
C1—H1A	0.9600	C56—H56B	0.9600
C1—H1B	0.9600	C56—H56C	0.9600
C1—H1C	0.9600	C57—H57A	0.9600
C2—H2A	0.9600	C57—H57B	0.9600
C2—H2B	0.9600	C57—H57C	0.9600
C2—H2C	0.9600	C58—H58A	0.9600
C3—H3A	0.9600	C58—H58B	0.9600
C3—H3B	0.9600	C58—H58C	0.9600
C3—H3C	0.9600	C59—H59A	0.9600
C4—H4A	0.9600	C59—H59B	0.9600
C4—H4B	0.9600	C59—H59C	0.9600
C4—H4C	0.9600	C60—H60A	0.9600
C5—H5A	0.9600	C60—H60B	0.9600
C5—H5B	0.9600	C60—H60C	0.9600
C5—H5C	0.9600	C61—H61A	0.9600
C6—H6A	0.9600	C61—H61B	0.9600
C6—H6B	0.9600	C61—H61C	0.9600
C6—H6C	0.9600	C62—H62A	0.9600
C7—H7A	0.9600	C62—H62B	0.9600
C7—H7B	0.9600	C62—H62C	0.9600
C7—H7C	0.9600	C63—H63A	0.9600
C8—H8A	0.9600	C63—H63B	0.9600
C8—H8B	0.9600	C63—H63C	0.9600
C8—H8C	0.9600	C64—H64A	0.9600
C9—H9A	0.9600	C64—H64B	0.9600
C9—H9B	0.9600	C64—H64C	0.9600
C9—H9C	0.9600	C65—H65A	0.9600
C10—H10A	0.9600	C65—H65B	0.9600
C10—H10B	0.9600	C65—H65C	0.9600
C10—H10C	0.9600	C66—H66A	0.9600
C11—H11A	0.9600	C66—H66B	0.9600
C11—H11B	0.9600	C66—H66C	0.9600
C11—H11C	0.9600	C67—H67A	0.9600
C12—H12A	0.9600	C67—H67B	0.9600
C12—H12B	0.9600	C67—H67C	0.9600
C12—H12C	0.9600	C68—H68A	0.9600
C13—H13A	0.9600	C68—H68B	0.9600
C13—H13B	0.9600	C68—H68C	0.9600
C13—H13C	0.9600	C69—H69A	0.9600
C14—H14A	0.9600	C69—H69B	0.9600
C14—H14B	0.9600	C69—H69C	0.9600
C14—H14C	0.9600	C70—H70A	0.9600
C15—H15A	0.9600	C70—H70B	0.9600
C15—H15B	0.9600	C70—H70C	0.9600
C15—H15C	0.9600	C71—H71A	0.9600
C16—H16A	0.9600	C71—H71B	0.9600
C16—H16B	0.9600	C71—H71C	0.9600
C16—H16C	0.9600	C72—H72A	0.9600
C17—H17A	0.9600	C72—H72B	0.9600
C17—H17B	0.9600	C72—H72C	0.9600
C17—H17C	0.9600	Ce4—O34	2.350 (6)
C18—H18A	0.9600	Ce4—O32	2.360 (5)
C18—H18B	0.9600	Ce4—O33	2.365 (5)
C18—H18C	0.9600	Ce4—O31	2.398 (5)
C19—H19A	0.9600	Ce4—O40	2.583 (6)
C19—H19B	0.9600	Ce4—O38	2.606 (6)
C19—H19C	0.9600	Ce4—O35	2.609 (6)
C20—H20A	0.9600	Ce4—O37	2.620 (6)
C20—H20B	0.9600	Ce4—N55	3.025 (7)
C20—H20C	0.9600	Ce4—N56	3.028 (7)
C21—H21A	0.9600	P13—O31	1.488 (6)
C21—H21B	0.9600	P13—N44	1.633 (7)
C21—H21C	0.9600	P13—N45	1.634 (6)
C22—H22A	0.9600	P13—N43	1.635 (7)
C22—H22B	0.9600	P14—O32	1.499 (5)
C22—H22C	0.9600	P14—N48	1.612 (7)
C23—H23A	0.9600	P14—N47	1.631 (6)
C23—H23B	0.9600	P14—N46	1.668 (6)
C23—H23C	0.9600	P15—O33	1.501 (5)
C24—H24A	0.9600	P15—N49	1.623 (7)
C24—H24B	0.9600	P15—N50	1.625 (7)
C24—H24C	0.9600	P15—N51	1.634 (8)
Ce2—O12	2.368 (5)	P16—O34	1.504 (6)
Ce2—O13	2.372 (5)	P16—N52	1.617 (7)
Ce2—O14	2.380 (5)	P16—N53	1.626 (7)
Ce2—O11	2.411 (5)	P16—N54	1.633 (7)
Ce2—O20	2.588 (6)	O35—N55	1.309 (9)
Ce2—O15	2.596 (6)	O36—N55	1.228 (9)
Ce2—O18	2.610 (6)	O37—N55	1.257 (9)
Ce2—O17	2.610 (6)	O38—N56	1.294 (9)
Ce2—N28	3.018 (8)	O39—N56	1.213 (9)
Ce2—N27	3.019 (7)	O40—N56	1.275 (9)
P5—O11	1.487 (5)	N43—C73	1.464 (10)
P5—N17	1.624 (7)	N43—C74	1.466 (9)
P5—N15	1.642 (7)	N44—C75	1.453 (10)
P5—N16	1.644 (7)	N44—C76	1.469 (10)
P6—O12	1.497 (5)	N45—C77	1.468 (9)
P6—N19	1.623 (7)	N45—C78	1.473 (10)
P6—N20	1.630 (6)	N46—C80	1.469 (8)
P6—N18	1.645 (6)	N46—C79	1.473 (9)
P7—O13	1.488 (6)	N47—C81	1.432 (10)
P7—N21	1.617 (7)	N47—C82	1.457 (9)
P7—N23	1.635 (8)	N48—C84	1.461 (10)
P7—N22	1.637 (7)	N48—C83	1.479 (10)
P8—O14	1.483 (6)	N49—C86	1.459 (10)
P8—N24	1.633 (7)	N49—C85	1.476 (10)
P8—N25	1.635 (7)	N50—C88	1.465 (10)
P8—N26	1.640 (7)	N50—C87	1.483 (10)
O15—N27	1.268 (9)	N51—C90	1.436 (10)
O16—N27	1.212 (9)	N51—C89	1.468 (12)
O17—N27	1.279 (9)	N52—C92	1.449 (11)
O18—N28	1.266 (9)	N52—C91	1.495 (11)
O19—N28	1.242 (9)	N53—C94	1.457 (10)
O20—N28	1.260 (10)	N53—C93	1.461 (11)
N15—C25	1.454 (10)	N54—C95	1.447 (10)
N15—C26	1.465 (10)	N54—C96	1.470 (10)
N16—C28	1.459 (10)	C73—H73A	0.9600
N16—C27	1.467 (10)	C73—H73B	0.9600
N17—C29	1.446 (10)	C73—H73C	0.9600
N17—C30	1.481 (11)	C74—H74A	0.9600
N18—C31	1.448 (9)	C74—H74B	0.9600
N18—C32	1.470 (9)	C74—H74C	0.9600
N19—C33	1.438 (9)	C75—H75A	0.9600
N19—C34	1.465 (10)	C75—H75B	0.9600
N20—C35	1.451 (10)	C75—H75C	0.9600
N20—C36	1.476 (10)	C76—H76A	0.9600
N21—C37	1.449 (11)	C76—H76B	0.9600
N21—C38	1.462 (11)	C76—H76C	0.9600
N22—C40	1.427 (11)	C77—H77A	0.9600
N22—C39	1.457 (10)	C77—H77B	0.9600
N23—C41	1.465 (11)	C77—H77C	0.9600
N23—C42	1.467 (12)	C78—H78A	0.9600
N24—C43	1.448 (11)	C78—H78B	0.9600
N24—C44	1.476 (11)	C78—H78C	0.9600
N25—C45	1.467 (10)	C79—H79A	0.9600
N25—C46	1.473 (11)	C79—H79B	0.9600
N26—C48	1.441 (11)	C79—H79C	0.9600
N26—C47	1.462 (13)	C80—H80A	0.9600
C25—H25A	0.9600	C80—H80B	0.9600
C25—H25B	0.9600	C80—H80C	0.9600
C25—H25C	0.9600	C81—H81A	0.9600
C26—H26A	0.9600	C81—H81B	0.9600
C26—H26B	0.9600	C81—H81C	0.9600
C26—H26C	0.9600	C82—H82A	0.9600
C27—H27A	0.9600	C82—H82B	0.9600
C27—H27B	0.9600	C82—H82C	0.9600
C27—H27C	0.9600	C83—H83A	0.9600
C28—H28A	0.9600	C83—H83B	0.9600
C28—H28B	0.9600	C83—H83C	0.9600
C28—H28C	0.9600	C84—H84A	0.9600
C29—H29A	0.9600	C84—H84B	0.9600
C29—H29B	0.9600	C84—H84C	0.9600
C29—H29C	0.9600	C85—H85A	0.9600
C30—H30A	0.9600	C85—H85B	0.9600
C30—H30B	0.9600	C85—H85C	0.9600
C30—H30C	0.9600	C86—H86A	0.9600
C31—H31A	0.9600	C86—H86B	0.9600
C31—H31B	0.9600	C86—H86C	0.9600
C31—H31C	0.9600	C87—H87A	0.9600
C32—H32A	0.9600	C87—H87B	0.9600
C32—H32B	0.9600	C87—H87C	0.9600
C32—H32C	0.9600	C88—H88A	0.9600
C33—H33A	0.9600	C88—H88B	0.9600
C33—H33B	0.9600	C88—H88C	0.9600
C33—H33C	0.9600	C89—H89A	0.9600
C34—H34A	0.9600	C89—H89B	0.9600
C34—H34B	0.9600	C89—H89C	0.9600
C34—H34C	0.9600	C90—H90A	0.9600
C35—H35A	0.9600	C90—H90B	0.9600
C35—H35B	0.9600	C90—H90C	0.9600
C35—H35C	0.9600	C91—H91A	0.9600
C36—H36A	0.9600	C91—H91B	0.9600
C36—H36B	0.9600	C91—H91C	0.9600
C36—H36C	0.9600	C92—H92A	0.9600
C37—H37A	0.9600	C92—H92B	0.9600
C37—H37B	0.9600	C92—H92C	0.9600
C37—H37C	0.9600	C93—H93A	0.9600
C38—H38A	0.9600	C93—H93B	0.9600
C38—H38B	0.9600	C93—H93C	0.9600
C38—H38C	0.9600	C94—H94A	0.9600
C39—H39A	0.9600	C94—H94B	0.9600
C39—H39B	0.9600	C94—H94C	0.9600
C39—H39C	0.9600	C95—H95A	0.9600
C40—H40A	0.9600	C95—H95B	0.9600
C40—H40B	0.9600	C95—H95C	0.9600
C40—H40C	0.9600	C96—H96A	0.9600
C41—H41A	0.9600	C96—H96B	0.9600
C41—H41B	0.9600	C96—H96C	0.9600
C41—H41C	0.9600