Poly[methano-ltetra-kis[μ(3)-5-(4-methoxy-phen-yl)pyrazole-3-carboxyl-ato(2-)]tri-copper(II)disodium(I).

The asymmetric unit of the polymeric title complex, [Cu(3)Na(2)(C(11)H(8)N(2)O(3))(4)(CH(4)O)](n), consists of two Na(I) atoms, three Cu(II) atoms, four 5-(4-methoxy-phen-yl)pyrazole-3-carboxyl-ate ligands and one methanol mol-ecule. The central Cu(II) atom is coordinated by four N atoms from four pyrazole-3-carboxyl-ate ligands, forming a distorted tetra-hedral (CuN(4)) geometry, while each of the other two Cu(II) atoms is coordinated by two O atoms and two N atoms from the two ligands, forming a slightly distorted square-planar (CuN(2)O(2)) geometry. Each of the two Na(I) atoms is coordinated by five O atoms, forming a distorted octahedral geometry; four O atoms are from the carboxyl-ate groups of the three ligands and the remaining O atom is from the meth-oxy group of the ligand or from the methanol mol-ecule.

Related literature

For related literature, see: Fujisawa et al. (2004 ▶); Mezei et al. (2004 ▶); Omary et al. (2003 ▶); Spiccia et al. (1997 ▶); Trofimenko (1972 ▶); Zhou et al. (2007 ▶).

Experimental

Crystal data

[Cu3Na2(C11H8N2O3)4(CH4O)]

M = 1133.42

Monoclinic,

a = 14.9392 (19) Å

b = 11.2721 (14) Å

c = 28.030 (4) Å

β = 103.259 (2)°

V = 4594.3 (10) Å3

Z = 4

Mo Kα radiation

μ = 1.47 mm−1

T = 293 (2) K

0.20 × 0.18 × 0.18 mm

Data collection

Bruker APEXII diffractometer

Absorption correction: multi-scan (; Sheldrick, 2003 ▶) T min = 0.758, T max = 0.778

27017 measured reflections

10442 independent reflections

5736 reflections with I > 2σ(I)

R int = 0.060

Refinement

R[F 2 > 2σ(F 2)] = 0.050

wR(F 2) = 0.129

S = 1.02

10442 reflections

640 parameters

H-atom parameters constrained

Δρmax = 0.63 e Å−3

Δρmin = −0.46 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: APEX2; data reduction: APEX2 (Bruker, 2005 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a ▶); molecular graphics: SHELXTL (Sheldrick, 1997b ▶) and DIAMOND (Brandenburg, 1998 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807064008/is2241sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807064008/is2241Isup2.hkl

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

[Cu3Na2(C11H8N2O3)4(CH4O)]	F000 = 2300
Mr = 1133.42	Dx = 1.639 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
a = 14.9392 (19) Å	Cell parameters from 25 reflections
b = 11.2721 (14) Å	θ = 1.7–27.4º
c = 28.030 (4) Å	µ = 1.47 mm−1
β = 103.259 (2)º	T = 293 (2) K
V = 4594.3 (10) Å3	Block, brown
Z = 4	0.20 × 0.18 × 0.18 mm

Bruker APEXII diffractometer	10442 independent reflections
Radiation source: fine-focus sealed tube	5736 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.060
T = 293(2) K	θmax = 27.4º
ω scans	θmin = 1.7º
Absorption correction: multi-scan(SADABS; Sheldrick, 2003)	h = −19→19
Tmin = 0.758, Tmax = 0.778	k = −7→14
27017 measured reflections	l = −36→36

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)] = 0.050	H-atom parameters constrained
wR(F2) = 0.129	w = 1/[σ2(Fo2) + (0.0492P)2 + 0.0446P] where P = (Fo2 + 2Fc2)/3
S = 1.02	(Δ/σ)max = 0.001
10442 reflections	Δρmax = 0.63 e Å−3
640 parameters	Δρmin = −0.46 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
Cu1	0.24102 (4)	0.89206 (4)	0.007883 (16)	0.03566 (15)
Cu2	0.21995 (4)	0.85438 (5)	−0.127702 (17)	0.03981 (16)
Cu3	0.26870 (4)	0.96721 (5)	0.142677 (17)	0.03766 (15)
Na1	0.09271 (12)	1.38506 (14)	0.20928 (6)	0.0445 (4)
Na2	0.38592 (12)	1.20926 (16)	−0.24191 (6)	0.0491 (5)
N21	0.2942 (2)	0.9926 (3)	−0.03602 (11)	0.0331 (8)
N22	0.2824 (2)	0.9723 (3)	−0.08417 (11)	0.0350 (8)
N31	0.1821 (2)	1.0211 (3)	0.03588 (11)	0.0329 (8)
N32	0.1953 (2)	1.0375 (3)	0.08496 (11)	0.0342 (8)
N41	0.3176 (2)	0.8097 (3)	0.06531 (11)	0.0345 (8)
N42	0.3224 (2)	0.8453 (3)	0.11176 (11)	0.0330 (8)
N11	0.1810 (2)	0.7588 (3)	−0.03323 (10)	0.0334 (8)
N12	0.1743 (2)	0.7580 (3)	−0.08211 (11)	0.0350 (8)
O002	0.4384 (3)	1.2269 (3)	0.17398 (11)	0.0665 (10)
O21	0.2702 (2)	0.9444 (3)	−0.17502 (10)	0.0519 (9)
O22	0.3597 (2)	1.1000 (3)	−0.18099 (11)	0.0604 (10)
O003	0.0353 (3)	1.1325 (3)	−0.19293 (12)	0.0777 (12)
O31	0.2137 (2)	1.0889 (3)	0.17528 (10)	0.0489 (8)
O32	0.1214 (2)	1.2466 (3)	0.15958 (11)	0.0620 (10)
O004	0.3920 (3)	0.5010 (3)	−0.11149 (12)	0.0724 (11)
O42	0.4578 (2)	0.7657 (3)	0.22695 (10)	0.0481 (8)
O41	0.3475 (2)	0.8990 (3)	0.20259 (9)	0.0445 (8)
O001	0.1488 (2)	0.5579 (3)	0.17536 (10)	0.0614 (10)
O12	0.0662 (2)	0.5787 (3)	−0.18083 (10)	0.0461 (8)
O11	0.1564 (2)	0.7383 (3)	−0.17436 (9)	0.0468 (8)
O01	0.2871 (3)	1.3552 (3)	−0.23317 (12)	0.0807 (13)
H01D	0.2857	1.4225	−0.2525	0.097*
C002	0.5032 (4)	1.1562 (5)	0.20906 (19)	0.087 (2)
H00A	0.5106	1.1899	0.2412	0.130*
H00B	0.5614	1.1551	0.2001	0.130*
H00C	0.4803	1.0766	0.2091	0.130*
C27	0.4209 (3)	1.1897 (4)	0.12623 (16)	0.0486 (12)
C28	0.3644 (3)	1.2622 (4)	0.09281 (16)	0.0487 (12)
H28A	0.3412	1.3314	0.1034	0.058*
C29	0.3418 (3)	1.2330 (4)	0.04356 (15)	0.0419 (11)
H29A	0.3034	1.2829	0.0215	0.050*
C24	0.3753 (3)	1.1310 (4)	0.02669 (14)	0.0351 (10)
C25	0.4323 (3)	1.0590 (4)	0.06076 (15)	0.0409 (11)
H25A	0.4556	0.9899	0.0501	0.049*
C26	0.4555 (3)	1.0872 (4)	0.11036 (16)	0.0475 (12)
H26A	0.4939	1.0376	0.1326	0.057*
C23	0.3474 (3)	1.0914 (4)	−0.02513 (14)	0.0346 (10)
C22	0.3686 (3)	1.1343 (4)	−0.06771 (15)	0.0402 (11)
H22A	0.4036	1.2007	−0.0711	0.048*
C21	0.3257 (3)	1.0557 (4)	−0.10412 (14)	0.0349 (10)
C20	0.3193 (3)	1.0359 (4)	−0.15744 (15)	0.0430 (11)
C003	−0.0010 (5)	1.0324 (6)	−0.22134 (19)	0.107 (3)
H00D	−0.0124	1.0522	−0.2555	0.161*
H00E	−0.0575	1.0087	−0.2133	0.161*
H00F	0.0424	0.9683	−0.2145	0.161*
C37	0.0562 (3)	1.1217 (5)	−0.14285 (16)	0.0526 (13)
C38	0.0948 (4)	1.2206 (5)	−0.11655 (17)	0.0584 (14)
H38A	0.1056	1.2888	−0.1330	0.070*
C39	0.1171 (3)	1.2178 (4)	−0.06624 (16)	0.0477 (12)
H39A	0.1431	1.2847	−0.0490	0.057*
C34	0.1016 (3)	1.1171 (4)	−0.04033 (14)	0.0363 (10)
C35	0.0620 (3)	1.0210 (4)	−0.06773 (15)	0.0426 (11)
H35A	0.0502	0.9530	−0.0514	0.051*
C36	0.0388 (3)	1.0215 (4)	−0.11856 (15)	0.0482 (12)
H36A	0.0120	0.9552	−0.1359	0.058*
C33	0.1288 (3)	1.1111 (4)	0.01371 (14)	0.0346 (10)
C32	0.1069 (3)	1.1861 (4)	0.04886 (15)	0.0383 (10)
H32A	0.0711	1.2544	0.0437	0.046*
C31	0.1507 (3)	1.1359 (4)	0.09326 (14)	0.0374 (11)
C30	0.1616 (3)	1.1623 (4)	0.14637 (16)	0.0454 (12)
C004	0.4011 (4)	0.5693 (5)	−0.15262 (18)	0.0808 (19)
H00G	0.3997	0.5177	−0.1800	0.121*
H00H	0.4585	0.6114	−0.1450	0.121*
H00I	0.3514	0.6250	−0.1607	0.121*
C47	0.3925 (3)	0.5600 (4)	−0.06895 (16)	0.0492 (12)
C48	0.4107 (3)	0.6787 (4)	−0.06168 (15)	0.0434 (12)
H48A	0.4244	0.7250	−0.0865	0.052*
C49	0.4081 (3)	0.7290 (4)	−0.01677 (15)	0.0401 (11)
H49A	0.4203	0.8096	−0.0120	0.048*
C44	0.3883 (3)	0.6632 (4)	0.02072 (14)	0.0362 (10)
C45	0.3748 (4)	0.5420 (4)	0.01318 (16)	0.0532 (13)
H45A	0.3640	0.4947	0.0385	0.064*
C46	0.3770 (4)	0.4911 (4)	−0.03111 (18)	0.0641 (16)
H46A	0.3680	0.4098	−0.0355	0.077*
C43	0.3779 (3)	0.7190 (4)	0.06680 (14)	0.0360 (10)
C42	0.4218 (3)	0.6984 (4)	0.11475 (15)	0.0414 (11)
H42A	0.4667	0.6417	0.1263	0.050*
C41	0.3856 (3)	0.7789 (4)	0.14223 (14)	0.0346 (10)
C40	0.3996 (3)	0.8143 (4)	0.19402 (14)	0.0389 (11)
C17	0.1403 (3)	0.5876 (4)	0.12659 (15)	0.0440 (12)
C18	0.1213 (3)	0.6996 (4)	0.10857 (15)	0.0447 (12)
H18A	0.1110	0.7602	0.1292	0.054*
C19	0.1174 (3)	0.7232 (4)	0.05952 (15)	0.0409 (11)
H19A	0.1053	0.7999	0.0476	0.049*
C14	0.1313 (3)	0.6344 (4)	0.02838 (14)	0.0342 (10)
C15	0.1472 (3)	0.5200 (4)	0.04669 (15)	0.0485 (13)
H15A	0.1551	0.4584	0.0259	0.058*
C16	0.1514 (3)	0.4969 (4)	0.09585 (15)	0.0516 (13)
H16A	0.1618	0.4200	0.1079	0.062*
C13	0.1362 (3)	0.6607 (4)	−0.02251 (14)	0.0334 (10)
C12	0.1005 (3)	0.5983 (4)	−0.06540 (14)	0.0393 (11)
H12A	0.0667	0.5283	−0.0687	0.047*
C11	0.1262 (3)	0.6631 (4)	−0.10215 (14)	0.0335 (10)
C10	0.1138 (3)	0.6555 (4)	−0.15602 (15)	0.0398 (11)
C01	0.2282 (5)	1.3529 (7)	−0.2013 (3)	0.128 (3)
H01A	0.1935	1.4253	−0.2044	0.191*
H01B	0.2635	1.3448	−0.1683	0.191*
H01C	0.1869	1.2868	−0.2093	0.191*
C001	0.1668 (5)	0.6523 (6)	0.21017 (19)	0.111 (3)
H00J	0.1714	0.6210	0.2425	0.166*
H00K	0.1176	0.7089	0.2028	0.166*
H00L	0.2236	0.6904	0.2087	0.166*

	U11	U22	U33	U12	U13	U23
Cu1	0.0578 (4)	0.0319 (3)	0.0185 (2)	0.0002 (2)	0.0113 (2)	−0.0008 (2)
Cu2	0.0568 (4)	0.0445 (3)	0.0192 (3)	−0.0096 (3)	0.0109 (2)	−0.0018 (2)
Cu3	0.0532 (4)	0.0396 (3)	0.0204 (3)	0.0049 (3)	0.0088 (2)	−0.0021 (2)
Na1	0.0633 (13)	0.0442 (11)	0.0278 (9)	−0.0025 (9)	0.0141 (9)	−0.0038 (7)
Na2	0.0558 (12)	0.0646 (13)	0.0277 (9)	−0.0015 (9)	0.0109 (8)	0.0135 (8)
N21	0.043 (2)	0.037 (2)	0.0195 (17)	−0.0033 (17)	0.0067 (15)	−0.0025 (14)
N22	0.047 (2)	0.038 (2)	0.0234 (18)	−0.0057 (17)	0.0135 (16)	0.0001 (15)
N31	0.046 (2)	0.033 (2)	0.0209 (17)	0.0039 (16)	0.0096 (16)	0.0016 (14)
N32	0.048 (2)	0.033 (2)	0.0242 (18)	0.0019 (17)	0.0123 (16)	−0.0017 (14)
N41	0.050 (2)	0.034 (2)	0.0218 (18)	0.0012 (17)	0.0114 (16)	−0.0040 (14)
N42	0.042 (2)	0.037 (2)	0.0190 (17)	0.0013 (16)	0.0040 (16)	−0.0016 (14)
N11	0.052 (2)	0.033 (2)	0.0159 (16)	−0.0020 (17)	0.0091 (16)	0.0025 (14)
N12	0.049 (2)	0.035 (2)	0.0204 (17)	−0.0057 (17)	0.0081 (16)	−0.0007 (14)
O002	0.086 (3)	0.077 (3)	0.0336 (19)	−0.010 (2)	0.0095 (19)	−0.0170 (17)
O21	0.076 (2)	0.061 (2)	0.0211 (15)	−0.0183 (18)	0.0158 (16)	−0.0035 (14)
O22	0.086 (3)	0.062 (2)	0.0399 (19)	−0.0145 (19)	0.0266 (19)	0.0114 (16)
O003	0.105 (3)	0.094 (3)	0.030 (2)	−0.001 (2)	0.006 (2)	0.0095 (19)
O31	0.072 (2)	0.050 (2)	0.0249 (16)	0.0097 (17)	0.0106 (16)	−0.0053 (14)
O32	0.095 (3)	0.051 (2)	0.048 (2)	0.0225 (19)	0.032 (2)	−0.0068 (16)
O004	0.110 (3)	0.064 (3)	0.053 (2)	−0.012 (2)	0.038 (2)	−0.0275 (18)
O42	0.051 (2)	0.062 (2)	0.0282 (17)	0.0057 (16)	0.0029 (15)	0.0056 (15)
O41	0.059 (2)	0.049 (2)	0.0250 (16)	0.0092 (16)	0.0082 (15)	−0.0038 (13)
O001	0.095 (3)	0.064 (2)	0.0250 (17)	−0.020 (2)	0.0139 (18)	0.0055 (15)
O12	0.058 (2)	0.044 (2)	0.0318 (17)	−0.0052 (16)	0.0012 (15)	−0.0127 (14)
O11	0.067 (2)	0.053 (2)	0.0201 (15)	−0.0161 (17)	0.0102 (15)	−0.0055 (13)
O01	0.101 (3)	0.108 (3)	0.042 (2)	0.036 (2)	0.035 (2)	0.023 (2)
C002	0.111 (6)	0.101 (5)	0.038 (3)	−0.004 (4)	−0.005 (3)	−0.010 (3)
C27	0.060 (3)	0.054 (3)	0.031 (3)	−0.010 (3)	0.007 (2)	−0.008 (2)
C28	0.063 (3)	0.041 (3)	0.046 (3)	−0.001 (2)	0.021 (3)	−0.019 (2)
C29	0.049 (3)	0.034 (3)	0.043 (3)	0.002 (2)	0.013 (2)	−0.005 (2)
C24	0.040 (3)	0.035 (3)	0.031 (2)	−0.006 (2)	0.011 (2)	−0.0022 (18)
C25	0.051 (3)	0.036 (3)	0.033 (2)	−0.004 (2)	0.006 (2)	−0.0083 (19)
C26	0.052 (3)	0.047 (3)	0.039 (3)	0.000 (2)	0.000 (2)	−0.001 (2)
C23	0.041 (3)	0.034 (3)	0.030 (2)	0.000 (2)	0.011 (2)	−0.0007 (18)
C22	0.048 (3)	0.037 (3)	0.038 (3)	−0.007 (2)	0.014 (2)	0.002 (2)
C21	0.041 (3)	0.035 (3)	0.029 (2)	0.000 (2)	0.010 (2)	0.0053 (18)
C20	0.058 (3)	0.042 (3)	0.031 (2)	0.005 (2)	0.016 (2)	0.007 (2)
C003	0.160 (7)	0.123 (6)	0.032 (3)	−0.012 (5)	0.008 (4)	−0.012 (4)
C37	0.059 (3)	0.070 (4)	0.029 (3)	0.012 (3)	0.008 (2)	0.008 (2)
C38	0.073 (4)	0.066 (4)	0.036 (3)	0.000 (3)	0.010 (3)	0.016 (2)
C39	0.059 (3)	0.044 (3)	0.037 (3)	0.002 (2)	0.005 (2)	0.003 (2)
C34	0.037 (3)	0.042 (3)	0.029 (2)	0.002 (2)	0.006 (2)	0.0067 (19)
C35	0.051 (3)	0.045 (3)	0.030 (2)	−0.002 (2)	0.006 (2)	0.005 (2)
C36	0.052 (3)	0.058 (3)	0.032 (3)	−0.005 (2)	0.005 (2)	−0.005 (2)
C33	0.045 (3)	0.033 (2)	0.027 (2)	0.000 (2)	0.009 (2)	0.0054 (18)
C32	0.046 (3)	0.030 (2)	0.040 (3)	0.004 (2)	0.013 (2)	0.0040 (19)
C31	0.050 (3)	0.034 (3)	0.032 (2)	−0.001 (2)	0.018 (2)	−0.0020 (19)
C30	0.061 (3)	0.043 (3)	0.037 (3)	−0.002 (2)	0.021 (2)	−0.006 (2)
C004	0.113 (6)	0.092 (5)	0.043 (3)	−0.013 (4)	0.030 (3)	−0.021 (3)
C47	0.057 (3)	0.054 (3)	0.040 (3)	−0.001 (2)	0.017 (2)	−0.015 (2)
C48	0.056 (3)	0.044 (3)	0.036 (3)	−0.001 (2)	0.021 (2)	−0.004 (2)
C49	0.046 (3)	0.035 (3)	0.043 (3)	−0.001 (2)	0.019 (2)	−0.009 (2)
C44	0.043 (3)	0.035 (3)	0.031 (2)	0.005 (2)	0.010 (2)	−0.0043 (19)
C45	0.086 (4)	0.044 (3)	0.039 (3)	0.002 (3)	0.031 (3)	0.003 (2)
C46	0.109 (5)	0.031 (3)	0.063 (4)	−0.006 (3)	0.042 (3)	−0.013 (2)
C43	0.046 (3)	0.032 (3)	0.031 (2)	−0.001 (2)	0.010 (2)	−0.0040 (18)
C42	0.045 (3)	0.041 (3)	0.035 (3)	0.008 (2)	0.002 (2)	0.001 (2)
C41	0.041 (3)	0.035 (3)	0.026 (2)	0.002 (2)	0.006 (2)	0.0028 (18)
C40	0.044 (3)	0.047 (3)	0.024 (2)	−0.009 (2)	0.006 (2)	0.001 (2)
C17	0.053 (3)	0.051 (3)	0.030 (2)	−0.010 (2)	0.014 (2)	0.005 (2)
C18	0.061 (3)	0.044 (3)	0.035 (3)	−0.004 (2)	0.023 (2)	−0.008 (2)
C19	0.052 (3)	0.035 (3)	0.040 (3)	0.003 (2)	0.018 (2)	0.002 (2)
C14	0.040 (3)	0.039 (3)	0.024 (2)	−0.002 (2)	0.0093 (19)	0.0046 (18)
C15	0.079 (4)	0.036 (3)	0.035 (3)	−0.008 (2)	0.021 (2)	0.002 (2)
C16	0.082 (4)	0.041 (3)	0.036 (3)	−0.005 (2)	0.020 (3)	0.010 (2)
C13	0.039 (3)	0.034 (3)	0.028 (2)	0.0024 (19)	0.0078 (19)	0.0041 (18)
C12	0.050 (3)	0.034 (3)	0.033 (2)	−0.010 (2)	0.008 (2)	−0.0021 (19)
C11	0.039 (3)	0.036 (3)	0.024 (2)	−0.002 (2)	0.0026 (19)	−0.0061 (18)
C10	0.048 (3)	0.044 (3)	0.026 (2)	0.005 (2)	0.005 (2)	−0.002 (2)
C01	0.114 (7)	0.161 (8)	0.105 (6)	0.016 (5)	0.019 (5)	0.005 (5)
C001	0.187 (8)	0.105 (6)	0.038 (3)	−0.052 (5)	0.022 (4)	−0.002 (3)

Cu1—N31	1.955 (3)	C25—H25A	0.9300
Cu1—N21	1.970 (3)	C26—H26A	0.9300
Cu1—N11	1.978 (3)	C23—C22	1.390 (5)
Cu1—N41	1.979 (3)	C22—C21	1.392 (5)
Cu2—N22	1.899 (3)	C22—H22A	0.9300
Cu2—N12	1.917 (3)	C21—C20	1.492 (5)
Cu2—O11	1.938 (3)	C003—H00D	0.9600
Cu2—O21	1.952 (3)	C003—H00E	0.9600
Cu3—N42	1.898 (3)	C003—H00F	0.9600
Cu3—N32	1.906 (3)	C37—C36	1.374 (6)
Cu3—O31	1.932 (3)	C37—C38	1.387 (7)
Cu3—O41	1.973 (3)	C38—C39	1.373 (6)
Na1—O32	2.199 (3)	C38—H38A	0.9300
Na1—O12i	2.360 (4)	C39—C34	1.395 (6)
Na1—O001ii	2.402 (3)	C39—H39A	0.9300
Na1—O41iii	2.431 (3)	C34—C35	1.381 (6)
Na1—O42iii	2.489 (3)	C34—C33	1.477 (5)
Na2—O22	2.212 (3)	C35—C36	1.387 (5)
Na2—O01	2.262 (4)	C35—H35A	0.9300
Na2—O42iv	2.292 (4)	C36—H36A	0.9300
Na2—O11v	2.309 (3)	C33—C32	1.393 (5)
Na2—O12v	2.842 (3)	C32—C31	1.387 (5)
N21—N22	1.340 (4)	C32—H32A	0.9300
N21—C23	1.361 (5)	C31—C30	1.490 (5)
N22—C21	1.335 (5)	C004—H00G	0.9600
N31—C33	1.350 (5)	C004—H00H	0.9600
N31—N32	1.357 (4)	C004—H00I	0.9600
N32—C31	1.341 (5)	C47—C48	1.371 (6)
N41—N42	1.348 (4)	C47—C46	1.377 (6)
N41—C43	1.357 (5)	C48—C49	1.389 (5)
N42—C41	1.345 (5)	C48—H48A	0.9300
N11—N12	1.351 (4)	C49—C44	1.373 (5)
N11—C13	1.361 (5)	C49—H49A	0.9300
N12—C11	1.338 (5)	C44—C45	1.390 (6)
O002—C27	1.369 (5)	C44—C43	1.476 (5)
O002—C002	1.450 (6)	C45—C46	1.375 (6)
O21—C20	1.296 (5)	C45—H45A	0.9300
O22—C20	1.227 (5)	C46—H46A	0.9300
O003—C37	1.372 (5)	C43—C42	1.373 (5)
O003—C003	1.415 (6)	C42—C41	1.378 (5)
O31—C30	1.288 (5)	C42—H42A	0.9300
O32—C30	1.226 (5)	C41—C40	1.473 (5)
O004—C47	1.364 (5)	C17—C18	1.365 (6)
O004—C004	1.419 (6)	C17—C16	1.371 (6)
O42—C40	1.241 (5)	C18—C19	1.389 (5)
O41—C40	1.289 (5)	C18—H18A	0.9300
O001—C17	1.384 (5)	C19—C14	1.375 (5)
O001—C001	1.427 (6)	C19—H19A	0.9300
O12—C10	1.229 (5)	C14—C15	1.389 (5)
O11—C10	1.301 (5)	C14—C13	1.475 (5)
O01—C01	1.389 (7)	C15—C16	1.390 (5)
O01—H01D	0.9300	C15—H15A	0.9300
C002—H00A	0.9600	C16—H16A	0.9300
C002—H00B	0.9600	C13—C12	1.389 (5)
C002—H00C	0.9600	C12—C11	1.387 (5)
C27—C28	1.377 (6)	C12—H12A	0.9300
C27—C26	1.380 (6)	C11—C10	1.481 (5)
C28—C29	1.384 (5)	C01—H01A	0.9600
C28—H28A	0.9300	C01—H01B	0.9600
C29—C24	1.380 (5)	C01—H01C	0.9600
C29—H29A	0.9300	C001—H00J	0.9600
C24—C25	1.387 (6)	C001—H00K	0.9600
C24—C23	1.485 (5)	C001—H00L	0.9600
C25—C26	1.390 (5)
N31—Cu1—N21	96.08 (13)	C22—C21—C20	138.0 (4)
N31—Cu1—N11	127.78 (14)	O22—C20—O21	124.7 (4)
N21—Cu1—N11	105.49 (12)	O22—C20—C21	121.6 (4)
N31—Cu1—N41	104.58 (13)	O21—C20—C21	113.6 (4)
N21—Cu1—N41	122.51 (14)	O003—C003—H00D	109.5
N11—Cu1—N41	102.60 (13)	O003—C003—H00E	109.5
N22—Cu2—N12	99.55 (13)	H00D—C003—H00E	109.5
N22—Cu2—O11	177.64 (13)	O003—C003—H00F	109.5
N12—Cu2—O11	82.73 (13)	H00D—C003—H00F	109.5
N22—Cu2—O21	82.16 (13)	H00E—C003—H00F	109.5
N12—Cu2—O21	176.68 (14)	O003—C37—C36	123.7 (5)
O11—Cu2—O21	95.61 (12)	O003—C37—C38	116.2 (4)
N42—Cu3—N32	97.74 (13)	C36—C37—C38	120.0 (4)
N42—Cu3—O31	178.72 (13)	C39—C38—C37	120.1 (4)
N32—Cu3—O31	83.24 (13)	C39—C38—H38A	120.0
N42—Cu3—O41	82.78 (13)	C37—C38—H38A	120.0
N32—Cu3—O41	178.06 (14)	C38—C39—C34	121.6 (4)
O31—Cu3—O41	96.28 (12)	C38—C39—H39A	119.2
O32—Na1—O12i	103.65 (13)	C34—C39—H39A	119.2
O32—Na1—O001ii	100.87 (13)	C35—C34—C39	116.7 (4)
O12i—Na1—O001ii	98.11 (13)	C35—C34—C33	121.1 (4)
O32—Na1—O41iii	127.59 (14)	C39—C34—C33	122.1 (4)
O12i—Na1—O41iii	116.02 (12)	C34—C35—C36	122.9 (4)
O001ii—Na1—O41iii	105.64 (12)	C34—C35—H35A	118.6
O32—Na1—O42iii	101.94 (12)	C36—C35—H35A	118.6
O12i—Na1—O42iii	83.62 (11)	C37—C36—C35	118.8 (4)
O001ii—Na1—O42iii	156.02 (12)	C37—C36—H36A	120.6
O41iii—Na1—O42iii	53.59 (10)	C35—C36—H36A	120.6
O22—Na2—O01	94.91 (14)	N31—C33—C32	109.9 (4)
O22—Na2—O42iv	106.28 (13)	N31—C33—C34	120.1 (4)
O01—Na2—O42iv	123.62 (16)	C32—C33—C34	130.0 (4)
O22—Na2—O11v	143.86 (15)	C31—C32—C33	104.3 (4)
O01—Na2—O11v	88.48 (12)	C31—C32—H32A	127.8
O42iv—Na2—O11v	101.47 (12)	C33—C32—H32A	127.8
O22—Na2—O12v	114.85 (12)	N32—C31—C32	109.4 (3)
O01—Na2—O12v	138.08 (12)	N32—C31—C30	113.2 (4)
O42iv—Na2—O12v	77.25 (11)	C32—C31—C30	137.4 (4)
O11v—Na2—O12v	50.01 (10)	O32—C30—O31	125.1 (4)
N22—N21—C23	107.5 (3)	O32—C30—C31	120.5 (4)
N22—N21—Cu1	123.5 (2)	O31—C30—C31	114.3 (4)
C23—N21—Cu1	129.0 (3)	O004—C004—H00G	109.5
C21—N22—N21	109.7 (3)	O004—C004—H00H	109.5
C21—N22—Cu2	116.0 (3)	H00G—C004—H00H	109.5
N21—N22—Cu2	134.3 (3)	O004—C004—H00I	109.5
C33—N31—N32	107.3 (3)	H00G—C004—H00I	109.5
C33—N31—Cu1	130.3 (3)	H00H—C004—H00I	109.5
N32—N31—Cu1	122.3 (2)	O004—C47—C48	124.5 (4)
C31—N32—N31	109.0 (3)	O004—C47—C46	115.5 (4)
C31—N32—Cu3	114.1 (3)	C48—C47—C46	119.9 (4)
N31—N32—Cu3	136.5 (3)	C47—C48—C49	119.2 (4)
N42—N41—C43	107.8 (3)	C47—C48—H48A	120.4
N42—N41—Cu1	122.6 (3)	C49—C48—H48A	120.4
C43—N41—Cu1	129.3 (3)	C44—C49—C48	121.9 (4)
C41—N42—N41	108.8 (3)	C44—C49—H49A	119.0
C41—N42—Cu3	114.9 (3)	C48—C49—H49A	119.0
N41—N42—Cu3	136.2 (3)	C49—C44—C45	117.6 (4)
N12—N11—C13	107.0 (3)	C49—C44—C43	121.6 (4)
N12—N11—Cu1	120.9 (2)	C45—C44—C43	120.7 (4)
C13—N11—Cu1	132.0 (2)	C46—C45—C44	121.0 (4)
C11—N12—N11	109.8 (3)	C46—C45—H45A	119.5
C11—N12—Cu2	114.3 (3)	C44—C45—H45A	119.5
N11—N12—Cu2	135.8 (3)	C45—C46—C47	120.2 (4)
C27—O002—C002	116.3 (4)	C45—C46—H46A	119.9
C20—O21—Cu2	115.3 (3)	C47—C46—H46A	119.9
C20—O22—Na2	159.9 (3)	N41—C43—C42	108.8 (3)
C37—O003—C003	118.2 (4)	N41—C43—C44	119.8 (4)
C30—O31—Cu3	114.8 (3)	C42—C43—C44	131.4 (4)
C30—O32—Na1	157.2 (3)	C43—C42—C41	106.0 (4)
C47—O004—C004	117.6 (4)	C43—C42—H42A	127.0
C40—O42—Na2iv	126.3 (3)	C41—C42—H42A	127.0
C40—O42—Na1vi	91.1 (3)	N42—C41—C42	108.6 (3)
Na2iv—O42—Na1vi	105.43 (13)	N42—C41—C40	113.3 (4)
C40—O41—Cu3	113.5 (2)	C42—C41—C40	138.0 (4)
C40—O41—Na1vi	92.6 (2)	O42—C40—O41	122.6 (4)
Cu3—O41—Na1vi	153.97 (15)	O42—C40—C41	122.0 (4)
C17—O001—C001	117.1 (4)	O41—C40—C41	115.4 (4)
C17—O001—Na1vii	128.7 (3)	C18—C17—C16	120.1 (4)
C001—O001—Na1vii	111.2 (3)	C18—C17—O001	123.6 (4)
C10—O12—Na1i	118.4 (3)	C16—C17—O001	116.3 (4)
C10—O12—Na2viii	81.5 (3)	C17—C18—C19	120.1 (4)
Na1i—O12—Na2viii	93.58 (11)	C17—C18—H18A	119.9
C10—O11—Cu2	115.2 (2)	C19—C18—H18A	120.0
C10—O11—Na2viii	104.8 (2)	C14—C19—C18	120.7 (4)
Cu2—O11—Na2viii	139.39 (15)	C14—C19—H19A	119.6
C01—O01—Na2	125.5 (4)	C18—C19—H19A	119.6
C01—O01—H01D	117.2	C19—C14—C15	118.7 (4)
Na2—O01—H01D	117.2	C19—C14—C13	121.1 (4)
O002—C002—H00A	109.5	C15—C14—C13	120.1 (4)
O002—C002—H00B	109.5	C14—C15—C16	120.3 (4)
H00A—C002—H00B	109.5	C14—C15—H15A	119.8
O002—C002—H00C	109.5	C16—C15—H15A	119.8
H00A—C002—H00C	109.5	C17—C16—C15	119.9 (4)
H00B—C002—H00C	109.5	C17—C16—H16A	120.0
O002—C27—C28	115.7 (4)	C15—C16—H16A	120.0
O002—C27—C26	124.7 (4)	N11—C13—C12	109.3 (3)
C28—C27—C26	119.6 (4)	N11—C13—C14	120.8 (3)
C27—C28—C29	120.6 (4)	C12—C13—C14	129.9 (4)
C27—C28—H28A	119.7	C11—C12—C13	105.0 (4)
C29—C28—H28A	119.7	C11—C12—H12A	127.5
C24—C29—C28	121.0 (4)	C13—C12—H12A	127.5
C24—C29—H29A	119.5	N12—C11—C12	108.8 (3)
C28—C29—H29A	119.5	N12—C11—C10	113.8 (4)
C29—C24—C25	117.7 (4)	C12—C11—C10	137.3 (4)
C29—C24—C23	122.9 (4)	O12—C10—O11	123.6 (4)
C25—C24—C23	119.2 (4)	O12—C10—C11	122.6 (4)
C24—C25—C26	121.9 (4)	O11—C10—C11	113.8 (4)
C24—C25—H25A	119.1	O01—C01—H01A	109.5
C26—C25—H25A	119.1	O01—C01—H01B	109.5
C27—C26—C25	119.2 (4)	H01A—C01—H01B	109.5
C27—C26—H26A	120.4	O01—C01—H01C	109.5
C25—C26—H26A	120.4	H01A—C01—H01C	109.5
N21—C23—C22	109.2 (4)	H01B—C01—H01C	109.5
N21—C23—C24	118.9 (3)	O001—C001—H00J	109.5
C22—C23—C24	131.8 (4)	O001—C001—H00K	109.5
C23—C22—C21	104.5 (4)	H00J—C001—H00K	109.5
C23—C22—H22A	127.7	O001—C001—H00L	109.5
C21—C22—H22A	127.7	H00J—C001—H00L	109.5
N22—C21—C22	109.1 (3)	H00K—C001—H00L	109.5
N22—C21—C20	112.8 (4)