Poly[[(μ2-benzene-1,3-di-carboxyl-ato){μ2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

Related literature

For background compounds with metal-organic framework structurs, see: Batten & Robson (1998 ▶); Chen et al. (2011 ▶); Farrusseng et al. (2009 ▶); Kurmoo (2009 ▶); Pramanik et al. (2011 ▶); Wong et al. (2006 ▶). For topologies, see: Blatov et al. (2010 ▶). For a description of the geometry of complexes with five-coordinate metal atoms, see: Addison et al. (1984 ▶).

Experimental

Crystal data

[Cd(C8H4O4)(C14H14N4)]·C3H7NO

M = 587.90

Triclinic,

a = 11.2088 (4) Å

b = 13.4710 (5) Å

c = 18.9133 (7) Å

α = 69.648 (1)°

β = 80.124 (1)°

γ = 68.521 (1)°

V = 2488.37 (16) Å3

Z = 4

Mo Kα radiation

μ = 0.92 mm−1

T = 185 K

0.26 × 0.23 × 0.13 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.795, T max = 0.889

13952 measured reflections

9746 independent reflections

6383 reflections with I > 2σ(I)

R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.095

S = 1.05

9746 reflections

649 parameters

H-atom parameters constrained

Δρmax = 0.61 e Å−3

Δρmin = −0.51 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) Suo1, I. DOI: 10.1107/S1600536813028298/bt6934sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813028298/bt6934Isup2.hkl

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

[Cd(C8H4O4)(C14H14N4)]·C3H7NO	V = 2488.37 (16) Å3
Mr = 587.90	Z = 4
Triclinic, P1	F(000) = 1192
Hall symbol: -P 1	Dx = 1.569 Mg m−3
a = 11.2088 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.4710 (5) Å	µ = 0.92 mm−1
c = 18.9133 (7) Å	T = 185 K
α = 69.648 (1)°	Needle, colorless
β = 80.124 (1)°	0.26 × 0.23 × 0.13 mm
γ = 68.521 (1)°

Bruker APEXII CCD diffractometer	9746 independent reflections
Radiation source: fine-focus sealed tube	6383 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.017
φ and ω scans	θmax = 26.1°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −13→13
Tmin = 0.795, Tmax = 0.889	k = −10→16
13952 measured reflections	l = −21→23

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095	H-atom parameters constrained
S = 1.05	w = 1/[σ2(Fo2) + (0.0431P)2 + 0.3924P] where P = (Fo2 + 2Fc2)/3
9746 reflections	(Δ/σ)max = 0.010
649 parameters	Δρmax = 0.61 e Å−3
0 restraints	Δρmin = −0.51 e Å−3

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
C1	1.1683 (3)	0.2415 (3)	0.29177 (18)	0.0219 (7)
C2	1.1610 (3)	0.1318 (3)	0.29320 (18)	0.0214 (7)
C3	1.0430 (3)	0.1167 (3)	0.29977 (18)	0.0212 (7)
H3	0.9666	0.1749	0.3063	0.025*
C4	1.0352 (3)	0.0174 (3)	0.29695 (18)	0.0215 (7)
C5	1.1478 (3)	−0.0674 (3)	0.28762 (19)	0.0268 (8)
H5	1.1435	−0.1350	0.2846	0.032*
C6	1.2658 (3)	−0.0539 (3)	0.2827 (2)	0.0285 (8)
H6	1.3423	−0.1126	0.2771	0.034*
C7	1.2727 (3)	0.0442 (3)	0.28584 (19)	0.0258 (8)
H7	1.3541	0.0526	0.2830	0.031*
C8	0.9071 (3)	0.0023 (3)	0.30248 (18)	0.0236 (8)
C9	0.3346 (3)	0.2555 (3)	0.71091 (17)	0.0207 (7)
C10	0.3391 (3)	0.3651 (3)	0.71219 (18)	0.0216 (7)
C11	0.4556 (3)	0.3833 (3)	0.70514 (17)	0.0212 (7)
H11	0.5331	0.3271	0.6972	0.025*
C12	0.4597 (3)	0.4824 (3)	0.70960 (18)	0.0227 (7)
C13	0.3459 (3)	0.5646 (3)	0.7210 (2)	0.0297 (8)
H13	0.3482	0.6322	0.7251	0.036*
C14	0.2295 (3)	0.5482 (3)	0.7265 (2)	0.0349 (9)
H14	0.1518	0.6051	0.7333	0.042*
C15	0.2262 (3)	0.4491 (3)	0.7220 (2)	0.0281 (8)
H15	0.1460	0.4382	0.7257	0.034*
C16	0.5861 (3)	0.5015 (3)	0.70207 (19)	0.0254 (8)
C17	1.0306 (3)	0.3691 (3)	0.44554 (18)	0.0245 (8)
H17	0.9744	0.3644	0.4154	0.029*
C18	1.1861 (3)	0.3961 (3)	0.4807 (2)	0.0288 (8)
H18	1.2608	0.4145	0.4792	0.035*
C19	1.1161 (3)	0.3602 (3)	0.5442 (2)	0.0290 (8)
H19	1.1322	0.3489	0.5946	0.035*
C20	0.9167 (3)	0.3069 (3)	0.57294 (19)	0.0301 (8)
H20A	0.8631	0.3673	0.5946	0.036*
H20B	0.9574	0.2399	0.6151	0.036*
C21	0.8322 (3)	0.2789 (3)	0.53413 (19)	0.0272 (8)
C22	0.8780 (3)	0.1888 (3)	0.5069 (2)	0.0352 (9)
H22	0.9659	0.1436	0.5116	0.042*
C23	0.7991 (3)	0.1625 (3)	0.4728 (2)	0.0333 (9)
H23	0.8334	0.1003	0.4539	0.040*
C24	0.6703 (3)	0.2262 (3)	0.46594 (19)	0.0285 (8)
C25	0.6239 (3)	0.3168 (3)	0.4934 (2)	0.0366 (9)
H25	0.5359	0.3618	0.4891	0.044*
C26	0.7035 (3)	0.3430 (3)	0.5270 (2)	0.0342 (9)
H26	0.6697	0.4056	0.5454	0.041*
C27	0.5851 (3)	0.1979 (3)	0.42727 (19)	0.0317 (9)
H27A	0.5425	0.2654	0.3860	0.038*
H27B	0.6390	0.1390	0.4044	0.038*
C28	0.4746 (3)	0.1321 (3)	0.55469 (19)	0.0246 (8)
H28	0.5299	0.1384	0.5846	0.030*
C29	0.3222 (3)	0.0997 (3)	0.52056 (19)	0.0268 (8)
H29	0.2493	0.0787	0.5224	0.032*
C30	0.3898 (3)	0.1378 (3)	0.4571 (2)	0.0271 (8)
H30	0.3737	0.1482	0.4068	0.032*
C31	1.0636 (3)	0.6731 (3)	0.20771 (18)	0.0257 (8)
H31	1.0874	0.6998	0.2417	0.031*
C32	1.0492 (3)	0.5644 (3)	0.1510 (2)	0.0318 (9)
H32	1.0618	0.4994	0.1377	0.038*
C33	0.9706 (3)	0.6695 (3)	0.1168 (2)	0.0315 (9)
H33	0.9187	0.6914	0.0756	0.038*
C34	0.9112 (3)	0.8574 (3)	0.13767 (19)	0.0286 (8)
H34A	0.9193	0.8803	0.1805	0.034*
H34B	0.8190	0.8714	0.1341	0.034*
C35	0.9595 (3)	0.9290 (3)	0.06538 (19)	0.0248 (8)
C36	0.8811 (3)	1.0373 (3)	0.0336 (2)	0.0331 (9)
H36	0.7984	1.0642	0.0564	0.040*
C44	0.4296 (4)	−0.4321 (4)	0.9400 (2)	0.0576 (14)
H44	0.3780	−0.3844	0.8982	0.069*
C42	0.5491 (3)	−0.4309 (3)	0.93834 (19)	0.0279 (8)
C43	0.6209 (4)	−0.4991 (4)	0.9993 (2)	0.0574 (14)
H43	0.7055	−0.4995	1.0001	0.069*
C37	1.0787 (3)	0.8924 (3)	0.0312 (2)	0.0343 (9)
H37	1.1342	0.8180	0.0522	0.041*
C41	0.6045 (3)	−0.3580 (3)	0.8699 (2)	0.0335 (9)
H41A	0.6931	−0.3683	0.8795	0.040*
H41B	0.6089	−0.3825	0.8257	0.040*
C38	0.4515 (3)	−0.1767 (3)	0.79481 (18)	0.0253 (8)
H38	0.4364	−0.2054	0.7591	0.030*
C39	0.4469 (3)	−0.0653 (3)	0.85416 (19)	0.0290 (8)
H39	0.4269	0.0008	0.8679	0.035*
C40	0.5253 (3)	−0.1676 (3)	0.8912 (2)	0.0305 (9)
H40	0.5702	−0.1870	0.9350	0.037*
C45	0.3929 (4)	0.2343 (4)	0.9062 (2)	0.0527 (12)
H45	0.3385	0.3102	0.8972	0.063*
C46	0.5744 (5)	0.2978 (4)	0.8900 (3)	0.0687 (15)
H46A	0.6680	0.2630	0.8904	0.103*
H46B	0.5440	0.3341	0.9295	0.103*
H46C	0.5506	0.3540	0.8407	0.103*
C47	0.6051 (4)	0.0993 (4)	0.9156 (3)	0.0788 (17)
H47A	0.6937	0.0985	0.9119	0.118*
H47B	0.5939	0.0702	0.8773	0.118*
H47C	0.5866	0.0521	0.9660	0.118*
C48	0.0501 (5)	0.3563 (4)	1.0609 (3)	0.0595 (13)
H48	−0.0195	0.4234	1.0597	0.071*
C49	0.1270 (4)	0.1555 (3)	1.0914 (2)	0.0478 (11)
H49A	0.0925	0.0936	1.1143	0.072*
H49B	0.1965	0.1450	1.1212	0.072*
H49C	0.1602	0.1568	1.0398	0.072*
C50	−0.1017 (4)	0.2587 (4)	1.1177 (3)	0.0600 (14)
H50A	−0.1005	0.1808	1.1365	0.090*
H50B	−0.1611	0.3016	1.0768	0.090*
H50C	−0.1297	0.2919	1.1589	0.090*
N1	1.1316 (2)	0.4017 (2)	0.41875 (15)	0.0253 (7)
N2	1.0180 (3)	0.3435 (2)	0.52109 (15)	0.0235 (6)
N3	0.3755 (2)	0.0960 (2)	0.58225 (15)	0.0244 (6)
N4	0.4866 (2)	0.1584 (2)	0.47926 (15)	0.0227 (6)
N5	1.1076 (3)	0.5675 (2)	0.20816 (15)	0.0261 (7)
N6	0.9807 (3)	0.7379 (2)	0.15290 (15)	0.0242 (6)
N7	0.4000 (2)	−0.0710 (2)	0.79320 (15)	0.0245 (6)
N8	0.5273 (3)	−0.2384 (2)	0.85267 (16)	0.0260 (7)
N9	0.5173 (3)	0.2141 (3)	0.90346 (19)	0.0452 (9)
N10	0.0256 (3)	0.2612 (3)	1.08964 (18)	0.0417 (8)
O1	1.0681 (2)	0.32236 (19)	0.29137 (15)	0.0343 (6)
O2	1.2794 (2)	0.24650 (18)	0.29156 (13)	0.0255 (5)
O3	0.8062 (2)	0.0766 (2)	0.31280 (15)	0.0368 (6)
O4	0.9086 (2)	−0.0881 (2)	0.29473 (14)	0.0314 (6)
O5	0.2247 (2)	0.24750 (18)	0.71208 (12)	0.0250 (5)
O6	0.4361 (2)	0.1771 (2)	0.70900 (14)	0.0316 (6)
O7	0.5820 (2)	0.5907 (2)	0.71313 (14)	0.0328 (6)
O8	0.6875 (2)	0.4331 (2)	0.68585 (15)	0.0365 (6)
O9	0.3411 (3)	0.1626 (3)	0.91959 (18)	0.0579 (9)
O10	0.1555 (3)	0.3657 (3)	1.0354 (2)	0.0789 (11)
Cd1	1.21121 (2)	0.423270 (19)	0.301290 (13)	0.02138 (8)
Cd2	0.29640 (2)	0.072572 (19)	0.699760 (13)	0.02152 (8)

	U11	U22	U33	U12	U13	U23
C1	0.0223 (17)	0.026 (2)	0.0197 (18)	−0.0142 (15)	−0.0018 (14)	−0.0031 (15)
C2	0.0220 (16)	0.0245 (19)	0.0208 (18)	−0.0121 (15)	0.0003 (13)	−0.0068 (15)
C3	0.0191 (16)	0.0215 (18)	0.0244 (19)	−0.0094 (14)	−0.0017 (13)	−0.0055 (15)
C4	0.0194 (16)	0.0251 (19)	0.0222 (18)	−0.0111 (15)	0.0014 (13)	−0.0072 (15)
C5	0.0295 (18)	0.0205 (19)	0.034 (2)	−0.0130 (15)	−0.0003 (15)	−0.0077 (16)
C6	0.0191 (16)	0.0220 (19)	0.043 (2)	−0.0065 (15)	−0.0037 (15)	−0.0080 (17)
C7	0.0177 (16)	0.029 (2)	0.033 (2)	−0.0121 (15)	−0.0012 (14)	−0.0088 (16)
C8	0.0270 (18)	0.030 (2)	0.0190 (18)	−0.0182 (16)	0.0032 (14)	−0.0064 (15)
C9	0.0217 (16)	0.0240 (19)	0.0189 (18)	−0.0119 (15)	−0.0019 (13)	−0.0045 (15)
C10	0.0221 (16)	0.0220 (19)	0.0222 (18)	−0.0107 (15)	−0.0035 (14)	−0.0041 (15)
C11	0.0179 (15)	0.0257 (19)	0.0217 (18)	−0.0093 (14)	0.0003 (13)	−0.0079 (15)
C12	0.0197 (16)	0.0249 (19)	0.0239 (19)	−0.0121 (15)	0.0005 (14)	−0.0039 (15)
C13	0.0261 (18)	0.026 (2)	0.042 (2)	−0.0121 (16)	0.0000 (16)	−0.0130 (17)
C14	0.0188 (17)	0.029 (2)	0.058 (3)	−0.0078 (16)	0.0010 (17)	−0.0167 (19)
C15	0.0168 (16)	0.029 (2)	0.041 (2)	−0.0121 (15)	−0.0029 (15)	−0.0090 (17)
C16	0.0273 (18)	0.029 (2)	0.026 (2)	−0.0181 (16)	−0.0037 (15)	−0.0058 (16)
C17	0.0261 (17)	0.0254 (19)	0.0215 (19)	−0.0107 (15)	−0.0012 (14)	−0.0045 (15)
C18	0.0263 (18)	0.024 (2)	0.038 (2)	−0.0096 (16)	−0.0056 (16)	−0.0086 (17)
C19	0.0307 (19)	0.028 (2)	0.030 (2)	−0.0097 (16)	−0.0062 (16)	−0.0080 (16)
C20	0.0312 (19)	0.032 (2)	0.027 (2)	−0.0144 (17)	0.0033 (16)	−0.0067 (17)
C21	0.0291 (18)	0.028 (2)	0.024 (2)	−0.0163 (16)	0.0077 (15)	−0.0041 (16)
C22	0.0249 (18)	0.034 (2)	0.046 (2)	−0.0075 (17)	0.0018 (17)	−0.0155 (19)
C23	0.034 (2)	0.031 (2)	0.037 (2)	−0.0138 (17)	0.0087 (17)	−0.0142 (17)
C24	0.0301 (19)	0.029 (2)	0.023 (2)	−0.0164 (16)	0.0061 (15)	−0.0005 (16)
C25	0.0242 (18)	0.033 (2)	0.050 (3)	−0.0064 (17)	0.0024 (17)	−0.0140 (19)
C26	0.032 (2)	0.029 (2)	0.045 (2)	−0.0126 (17)	0.0062 (17)	−0.0173 (18)
C27	0.0340 (19)	0.035 (2)	0.023 (2)	−0.0162 (17)	0.0038 (16)	−0.0034 (17)
C28	0.0204 (16)	0.027 (2)	0.0252 (19)	−0.0088 (15)	0.0015 (14)	−0.0076 (16)
C29	0.0235 (17)	0.027 (2)	0.034 (2)	−0.0091 (15)	−0.0046 (15)	−0.0111 (17)
C30	0.0290 (18)	0.027 (2)	0.025 (2)	−0.0055 (16)	−0.0073 (15)	−0.0100 (16)
C31	0.0281 (18)	0.026 (2)	0.0229 (19)	−0.0145 (16)	0.0007 (15)	−0.0029 (15)
C32	0.039 (2)	0.029 (2)	0.030 (2)	−0.0107 (17)	−0.0066 (17)	−0.0114 (17)
C33	0.036 (2)	0.034 (2)	0.027 (2)	−0.0106 (18)	−0.0063 (16)	−0.0111 (17)
C34	0.0302 (18)	0.022 (2)	0.027 (2)	−0.0065 (16)	0.0055 (15)	−0.0053 (16)
C35	0.0262 (17)	0.0218 (19)	0.0247 (19)	−0.0089 (15)	−0.0005 (14)	−0.0047 (15)
C36	0.0239 (17)	0.031 (2)	0.034 (2)	−0.0072 (16)	0.0075 (15)	−0.0040 (17)
C44	0.035 (2)	0.066 (3)	0.044 (3)	−0.020 (2)	−0.011 (2)	0.023 (2)
C42	0.0269 (18)	0.0216 (19)	0.027 (2)	−0.0051 (15)	0.0029 (15)	−0.0026 (16)
C43	0.033 (2)	0.062 (3)	0.055 (3)	−0.021 (2)	−0.008 (2)	0.016 (2)
C37	0.0257 (18)	0.027 (2)	0.036 (2)	−0.0026 (16)	0.0013 (16)	−0.0007 (17)
C41	0.0301 (19)	0.024 (2)	0.033 (2)	−0.0061 (16)	0.0084 (16)	−0.0009 (17)
C38	0.0317 (18)	0.025 (2)	0.0220 (19)	−0.0141 (16)	0.0008 (15)	−0.0067 (15)
C39	0.0324 (19)	0.028 (2)	0.030 (2)	−0.0119 (17)	−0.0014 (16)	−0.0117 (17)
C40	0.0300 (19)	0.033 (2)	0.026 (2)	−0.0068 (17)	−0.0057 (16)	−0.0075 (17)
C45	0.046 (3)	0.072 (4)	0.039 (3)	−0.010 (3)	−0.007 (2)	−0.024 (2)
C46	0.066 (3)	0.077 (4)	0.061 (3)	−0.031 (3)	−0.012 (3)	−0.007 (3)
C47	0.049 (3)	0.088 (4)	0.115 (5)	−0.012 (3)	−0.012 (3)	−0.060 (4)
C48	0.068 (3)	0.051 (3)	0.066 (3)	−0.016 (3)	−0.016 (3)	−0.022 (3)
C49	0.045 (2)	0.050 (3)	0.041 (3)	−0.012 (2)	−0.005 (2)	−0.008 (2)
C50	0.049 (3)	0.071 (4)	0.049 (3)	−0.013 (3)	−0.004 (2)	−0.013 (3)
N1	0.0246 (14)	0.0242 (16)	0.0280 (17)	−0.0105 (13)	−0.0013 (12)	−0.0067 (13)
N2	0.0244 (14)	0.0217 (16)	0.0226 (16)	−0.0079 (12)	−0.0001 (12)	−0.0050 (13)
N3	0.0230 (14)	0.0234 (16)	0.0265 (16)	−0.0099 (12)	0.0024 (12)	−0.0069 (13)
N4	0.0221 (14)	0.0207 (16)	0.0233 (16)	−0.0067 (12)	0.0012 (12)	−0.0061 (13)
N5	0.0268 (15)	0.0236 (17)	0.0269 (17)	−0.0103 (13)	−0.0033 (12)	−0.0038 (13)
N6	0.0263 (15)	0.0243 (16)	0.0192 (15)	−0.0102 (13)	0.0019 (12)	−0.0030 (13)
N7	0.0251 (14)	0.0218 (16)	0.0274 (17)	−0.0114 (13)	−0.0030 (12)	−0.0040 (13)
N8	0.0242 (14)	0.0223 (16)	0.0251 (17)	−0.0068 (13)	0.0021 (12)	−0.0024 (13)
N9	0.044 (2)	0.057 (3)	0.038 (2)	−0.0153 (19)	−0.0092 (16)	−0.0175 (18)
N10	0.042 (2)	0.039 (2)	0.039 (2)	−0.0082 (17)	−0.0100 (16)	−0.0088 (16)
O1	0.0246 (13)	0.0236 (14)	0.0580 (18)	−0.0090 (11)	−0.0105 (12)	−0.0115 (12)
O2	0.0227 (12)	0.0281 (14)	0.0323 (14)	−0.0154 (10)	0.0022 (10)	−0.0115 (11)
O3	0.0217 (13)	0.0466 (17)	0.0551 (18)	−0.0165 (12)	0.0079 (12)	−0.0305 (14)
O4	0.0252 (13)	0.0307 (15)	0.0475 (17)	−0.0179 (11)	−0.0027 (11)	−0.0134 (12)
O5	0.0222 (11)	0.0271 (14)	0.0309 (14)	−0.0155 (10)	0.0016 (10)	−0.0090 (11)
O6	0.0239 (13)	0.0276 (14)	0.0487 (17)	−0.0089 (11)	−0.0049 (11)	−0.0164 (12)
O7	0.0269 (13)	0.0288 (15)	0.0505 (17)	−0.0145 (11)	−0.0046 (11)	−0.0149 (12)
O8	0.0224 (13)	0.0459 (17)	0.0522 (18)	−0.0181 (12)	0.0090 (12)	−0.0265 (14)
O9	0.0438 (18)	0.064 (2)	0.070 (2)	−0.0162 (16)	−0.0054 (16)	−0.0264 (18)
O10	0.066 (2)	0.073 (3)	0.113 (3)	−0.041 (2)	0.001 (2)	−0.031 (2)
Cd1	0.01834 (13)	0.02126 (15)	0.02570 (16)	−0.00977 (11)	0.00102 (10)	−0.00628 (11)
Cd2	0.01866 (13)	0.02158 (15)	0.02509 (16)	−0.00998 (11)	0.00115 (10)	−0.00570 (11)

C1—O1	1.244 (4)	C31—N6	1.344 (4)
C1—O2	1.271 (4)	C31—H31	0.9500
C1—C2	1.499 (4)	C32—C33	1.358 (5)
C1—Cd1	2.731 (3)	C32—N5	1.376 (4)
C2—C3	1.390 (4)	C32—H32	0.9500
C2—C7	1.397 (4)	C33—N6	1.367 (4)
C3—C4	1.391 (4)	C33—H33	0.9500
C3—H3	0.9500	C34—N6	1.456 (4)
C4—C5	1.391 (4)	C34—C35	1.518 (4)
C4—C8	1.504 (4)	C34—H34A	0.9900
C5—C6	1.384 (4)	C34—H34B	0.9900
C5—H5	0.9500	C35—C37	1.374 (5)
C6—C7	1.374 (4)	C35—C36	1.377 (4)
C6—H6	0.9500	C36—C37i	1.384 (5)
C7—H7	0.9500	C36—H36	0.9500
C8—O3	1.245 (4)	C44—C42	1.341 (5)
C8—O4	1.270 (4)	C44—C43ii	1.384 (5)
C9—O6	1.243 (4)	C44—H44	0.9500
C9—O5	1.270 (4)	C42—C43	1.364 (5)
C9—C10	1.505 (4)	C42—C41	1.520 (4)
C9—Cd2	2.732 (3)	C43—C44ii	1.384 (5)
C10—C15	1.390 (4)	C43—H43	0.9500
C10—C11	1.391 (4)	C37—C36i	1.384 (5)
C11—C12	1.385 (4)	C37—H37	0.9500
C11—H11	0.9500	C41—N8	1.469 (4)
C12—C13	1.392 (4)	C41—H41A	0.9900
C12—C16	1.506 (4)	C41—H41B	0.9900
C13—C14	1.382 (5)	C38—N7	1.317 (4)
C13—H13	0.9500	C38—N8	1.334 (4)
C14—C15	1.382 (5)	C38—H38	0.9500
C14—H14	0.9500	C39—C40	1.347 (5)
C15—H15	0.9500	C39—N7	1.383 (4)
C16—O8	1.243 (4)	C39—H39	0.9500
C16—O7	1.273 (4)	C40—N8	1.380 (4)
C17—N1	1.321 (4)	C40—H40	0.9500
C17—N2	1.343 (4)	C45—O9	1.235 (5)
C17—H17	0.9500	C45—N9	1.315 (5)
C18—C19	1.357 (5)	C45—H45	0.9500
C18—N1	1.379 (4)	C46—N9	1.422 (5)
C18—H18	0.9500	C46—H46A	0.9800
C19—N2	1.365 (4)	C46—H46B	0.9800
C19—H19	0.9500	C46—H46C	0.9800
C20—N2	1.479 (4)	C47—N9	1.458 (5)
C20—C21	1.507 (5)	C47—H47A	0.9800
C20—H20A	0.9900	C47—H47B	0.9800
C20—H20B	0.9900	C47—H47C	0.9800
C21—C22	1.375 (5)	C48—O10	1.231 (6)
C21—C26	1.384 (5)	C48—N10	1.317 (5)
C22—C23	1.381 (5)	C48—H48	0.9500
C22—H22	0.9500	C49—N10	1.455 (5)
C23—C24	1.384 (5)	C49—H49A	0.9800
C23—H23	0.9500	C49—H49B	0.9800
C24—C25	1.384 (5)	C49—H49C	0.9800
C24—C27	1.514 (5)	C50—N10	1.442 (5)
C25—C26	1.380 (5)	C50—H50A	0.9800
C25—H25	0.9500	C50—H50B	0.9800
C26—H26	0.9500	C50—H50C	0.9800
C27—N4	1.471 (4)	N1—Cd1	2.208 (3)
C27—H27A	0.9900	N3—Cd2	2.206 (3)
C27—H27B	0.9900	N5—Cd1	2.213 (3)
C28—N3	1.328 (4)	N7—Cd2	2.212 (3)
C28—N4	1.340 (4)	O1—Cd1	2.517 (2)
C28—H28	0.9500	O2—Cd1	2.283 (2)
C29—C30	1.351 (5)	O4—Cd2iii	2.217 (2)
C29—N3	1.378 (4)	O5—Cd2	2.277 (2)
C29—H29	0.9500	O6—Cd2	2.519 (2)
C30—N4	1.374 (4)	O7—Cd1iv	2.232 (2)
C30—H30	0.9500	Cd1—O7iv	2.232 (2)
C31—N5	1.321 (4)	Cd2—O4iii	2.217 (2)
O1—C1—O2	122.9 (3)	C42—C44—C43ii	122.0 (4)
O1—C1—C2	120.1 (3)	C42—C44—H44	119.0
O2—C1—C2	117.1 (3)	C43ii—C44—H44	119.0
O1—C1—Cd1	66.82 (18)	C44—C42—C43	117.9 (3)
O2—C1—Cd1	56.19 (16)	C44—C42—C41	121.2 (3)
C2—C1—Cd1	171.8 (2)	C43—C42—C41	120.9 (3)
C3—C2—C7	118.8 (3)	C42—C43—C44ii	120.1 (4)
C3—C2—C1	120.6 (3)	C42—C43—H43	120.0
C7—C2—C1	120.5 (3)	C44ii—C43—H43	120.0
C2—C3—C4	120.9 (3)	C35—C37—C36i	120.9 (3)
C2—C3—H3	119.6	C35—C37—H37	119.6
C4—C3—H3	119.6	C36i—C37—H37	119.6
C3—C4—C5	119.1 (3)	N8—C41—C42	112.2 (3)
C3—C4—C8	120.7 (3)	N8—C41—H41A	109.2
C5—C4—C8	120.2 (3)	C42—C41—H41A	109.2
C6—C5—C4	120.4 (3)	N8—C41—H41B	109.2
C6—C5—H5	119.8	C42—C41—H41B	109.2
C4—C5—H5	119.8	H41A—C41—H41B	107.9
C7—C6—C5	120.2 (3)	N7—C38—N8	111.8 (3)
C7—C6—H6	119.9	N7—C38—H38	124.1
C5—C6—H6	119.9	N8—C38—H38	124.1
C6—C7—C2	120.6 (3)	C40—C39—N7	109.6 (3)
C6—C7—H7	119.7	C40—C39—H39	125.2
C2—C7—H7	119.7	N7—C39—H39	125.2
O3—C8—O4	122.9 (3)	C39—C40—N8	106.1 (3)
O3—C8—C4	120.6 (3)	C39—C40—H40	126.9
O4—C8—C4	116.4 (3)	N8—C40—H40	126.9
O6—C9—O5	122.7 (3)	O9—C45—N9	125.2 (5)
O6—C9—C10	119.8 (3)	O9—C45—H45	117.4
O5—C9—C10	117.5 (3)	N9—C45—H45	117.4
O6—C9—Cd2	66.90 (18)	N9—C46—H46A	109.5
O5—C9—Cd2	55.89 (16)	N9—C46—H46B	109.5
C10—C9—Cd2	172.5 (2)	H46A—C46—H46B	109.5
C15—C10—C11	119.1 (3)	N9—C46—H46C	109.5
C15—C10—C9	120.1 (3)	H46A—C46—H46C	109.5
C11—C10—C9	120.8 (3)	H46B—C46—H46C	109.5
C12—C11—C10	120.6 (3)	N9—C47—H47A	109.5
C12—C11—H11	119.7	N9—C47—H47B	109.5
C10—C11—H11	119.7	H47A—C47—H47B	109.5
C11—C12—C13	119.5 (3)	N9—C47—H47C	109.5
C11—C12—C16	120.4 (3)	H47A—C47—H47C	109.5
C13—C12—C16	120.1 (3)	H47B—C47—H47C	109.5
C14—C13—C12	120.2 (3)	O10—C48—N10	125.7 (5)
C14—C13—H13	119.9	O10—C48—H48	117.2
C12—C13—H13	119.9	N10—C48—H48	117.2
C15—C14—C13	119.9 (3)	N10—C49—H49A	109.5
C15—C14—H14	120.0	N10—C49—H49B	109.5
C13—C14—H14	120.0	H49A—C49—H49B	109.5
C14—C15—C10	120.6 (3)	N10—C49—H49C	109.5
C14—C15—H15	119.7	H49A—C49—H49C	109.5
C10—C15—H15	119.7	H49B—C49—H49C	109.5
O8—C16—O7	122.9 (3)	N10—C50—H50A	109.5
O8—C16—C12	120.9 (3)	N10—C50—H50B	109.5
O7—C16—C12	116.1 (3)	H50A—C50—H50B	109.5
N1—C17—N2	110.9 (3)	N10—C50—H50C	109.5
N1—C17—H17	124.6	H50A—C50—H50C	109.5
N2—C17—H17	124.6	H50B—C50—H50C	109.5
C19—C18—N1	109.3 (3)	C17—N1—C18	105.9 (3)
C19—C18—H18	125.4	C17—N1—Cd1	123.9 (2)
N1—C18—H18	125.4	C18—N1—Cd1	129.0 (2)
C18—C19—N2	106.3 (3)	C17—N2—C19	107.8 (3)
C18—C19—H19	126.9	C17—N2—C20	128.4 (3)
N2—C19—H19	126.9	C19—N2—C20	123.8 (3)
N2—C20—C21	112.5 (3)	C28—N3—C29	105.6 (3)
N2—C20—H20A	109.1	C28—N3—Cd2	124.2 (2)
C21—C20—H20A	109.1	C29—N3—Cd2	129.0 (2)
N2—C20—H20B	109.1	C28—N4—C30	107.1 (3)
C21—C20—H20B	109.1	C28—N4—C27	128.6 (3)
H20A—C20—H20B	107.8	C30—N4—C27	124.2 (3)
C22—C21—C26	118.1 (3)	C31—N5—C32	106.1 (3)
C22—C21—C20	121.9 (3)	C31—N5—Cd1	124.8 (2)
C26—C21—C20	119.9 (3)	C32—N5—Cd1	127.3 (2)
C21—C22—C23	121.5 (3)	C31—N6—C33	107.1 (3)
C21—C22—H22	119.3	C31—N6—C34	125.9 (3)
C23—C22—H22	119.3	C33—N6—C34	126.9 (3)
C22—C23—C24	120.4 (4)	C38—N7—C39	105.3 (3)
C22—C23—H23	119.8	C38—N7—Cd2	126.9 (2)
C24—C23—H23	119.8	C39—N7—Cd2	126.5 (2)
C25—C24—C23	118.2 (4)	C38—N8—C40	107.1 (3)
C25—C24—C27	121.7 (3)	C38—N8—C41	126.7 (3)
C23—C24—C27	120.0 (3)	C40—N8—C41	126.1 (3)
C26—C25—C24	121.0 (3)	C45—N9—C46	124.1 (4)
C26—C25—H25	119.5	C45—N9—C47	119.6 (4)
C24—C25—H25	119.5	C46—N9—C47	116.3 (4)
C25—C26—C21	120.7 (4)	C48—N10—C50	121.7 (4)
C25—C26—H26	119.6	C48—N10—C49	120.1 (4)
C21—C26—H26	119.6	C50—N10—C49	118.3 (4)
N4—C27—C24	112.7 (3)	C1—O1—Cd1	86.14 (19)
N4—C27—H27A	109.0	C1—O2—Cd1	96.3 (2)
C24—C27—H27A	109.0	C8—O4—Cd2iii	104.9 (2)
N4—C27—H27B	109.0	C9—O5—Cd2	96.6 (2)
C24—C27—H27B	109.0	C9—O6—Cd2	86.10 (19)
H27A—C27—H27B	107.8	C16—O7—Cd1iv	102.0 (2)
N3—C28—N4	111.2 (3)	N1—Cd1—N5	120.05 (10)
N3—C28—H28	124.4	N1—Cd1—O7iv	113.90 (9)
N4—C28—H28	124.4	N5—Cd1—O7iv	108.45 (9)
C30—C29—N3	109.4 (3)	N1—Cd1—O2	103.81 (9)
C30—C29—H29	125.3	N5—Cd1—O2	119.59 (9)
N3—C29—H29	125.3	O7iv—Cd1—O2	86.36 (8)
C29—C30—N4	106.6 (3)	N1—Cd1—O1	85.77 (9)
C29—C30—H30	126.7	N5—Cd1—O1	87.77 (9)
N4—C30—H30	126.7	O7iv—Cd1—O1	140.15 (8)
N5—C31—N6	111.1 (3)	O2—Cd1—O1	54.54 (7)
N5—C31—H31	124.4	N1—Cd1—C1	94.16 (10)
N6—C31—H31	124.4	N5—Cd1—C1	105.59 (10)
C33—C32—N5	108.9 (3)	O7iv—Cd1—C1	113.76 (9)
C33—C32—H32	125.6	O2—Cd1—C1	27.55 (8)
N5—C32—H32	125.6	O1—Cd1—C1	27.04 (8)
C32—C33—N6	106.8 (3)	N3—Cd2—N7	120.66 (10)
C32—C33—H33	126.6	N3—Cd2—O4iii	109.82 (9)
N6—C33—H33	126.6	N7—Cd2—O4iii	111.39 (9)
N6—C34—C35	113.0 (3)	N3—Cd2—O5	104.62 (9)
N6—C34—H34A	109.0	N7—Cd2—O5	118.63 (9)
C35—C34—H34A	109.0	O4iii—Cd2—O5	86.42 (8)
N6—C34—H34B	109.0	N3—Cd2—O6	85.43 (9)
C35—C34—H34B	109.0	N7—Cd2—O6	88.45 (9)
H34A—C34—H34B	107.8	O4iii—Cd2—O6	140.80 (8)
C37—C35—C36	118.3 (3)	O5—Cd2—O6	54.46 (7)
C37—C35—C34	123.5 (3)	N3—Cd2—C9	94.51 (10)
C36—C35—C34	118.2 (3)	N7—Cd2—C9	105.43 (10)
C35—C36—C37i	120.8 (3)	O4iii—Cd2—C9	113.93 (9)
C35—C36—H36	119.6	O5—Cd2—C9	27.51 (8)
C37i—C36—H36	119.6	O6—Cd2—C9	26.99 (8)
O1—C1—C2—C3	−4.8 (5)	N7—C38—N8—C40	−0.3 (4)
O2—C1—C2—C3	174.7 (3)	N7—C38—N8—C41	−177.1 (3)
Cd1—C1—C2—C3	141.5 (15)	C39—C40—N8—C38	0.2 (4)
O1—C1—C2—C7	173.4 (3)	C39—C40—N8—C41	177.0 (3)
O2—C1—C2—C7	−7.1 (5)	C42—C41—N8—C38	−107.6 (4)
Cd1—C1—C2—C7	−40.3 (18)	C42—C41—N8—C40	76.2 (4)
C7—C2—C3—C4	−1.8 (5)	O9—C45—N9—C46	−178.2 (4)
C1—C2—C3—C4	176.4 (3)	O9—C45—N9—C47	1.0 (7)
C2—C3—C4—C5	0.2 (5)	O10—C48—N10—C50	−179.5 (5)
C2—C3—C4—C8	−178.7 (3)	O10—C48—N10—C49	−1.6 (7)
C3—C4—C5—C6	1.2 (5)	O2—C1—O1—Cd1	−4.4 (3)
C8—C4—C5—C6	−179.9 (3)	C2—C1—O1—Cd1	175.1 (3)
C4—C5—C6—C7	−1.0 (5)	O1—C1—O2—Cd1	4.9 (3)
C5—C6—C7—C2	−0.7 (5)	C2—C1—O2—Cd1	−174.6 (2)
C3—C2—C7—C6	2.1 (5)	O3—C8—O4—Cd2iii	1.8 (4)
C1—C2—C7—C6	−176.1 (3)	C4—C8—O4—Cd2iii	−177.0 (2)
C3—C4—C8—O3	−3.0 (5)	O6—C9—O5—Cd2	−4.4 (3)
C5—C4—C8—O3	178.1 (3)	C10—C9—O5—Cd2	175.8 (2)
C3—C4—C8—O4	175.8 (3)	O5—C9—O6—Cd2	4.0 (3)
C5—C4—C8—O4	−3.1 (5)	C10—C9—O6—Cd2	−176.3 (3)
O6—C9—C10—C15	−173.5 (3)	O8—C16—O7—Cd1iv	−1.5 (4)
O5—C9—C10—C15	6.3 (5)	C12—C16—O7—Cd1iv	178.6 (2)
Cd2—C9—C10—C15	33.8 (19)	C17—N1—Cd1—N5	72.8 (3)
O6—C9—C10—C11	5.2 (5)	C18—N1—Cd1—N5	−121.5 (3)
O5—C9—C10—C11	−175.0 (3)	C17—N1—Cd1—O7iv	−156.2 (2)
Cd2—C9—C10—C11	−147.5 (16)	C18—N1—Cd1—O7iv	9.6 (3)
C15—C10—C11—C12	1.5 (5)	C17—N1—Cd1—O2	−64.0 (3)
C9—C10—C11—C12	−177.2 (3)	C18—N1—Cd1—O2	101.7 (3)
C10—C11—C12—C13	−0.2 (5)	C17—N1—Cd1—O1	−12.2 (3)
C10—C11—C12—C16	179.9 (3)	C18—N1—Cd1—O1	153.6 (3)
C11—C12—C13—C14	−1.2 (5)	C17—N1—Cd1—C1	−37.9 (3)
C16—C12—C13—C14	178.7 (3)	C18—N1—Cd1—C1	127.9 (3)
C12—C13—C14—C15	1.2 (6)	C31—N5—Cd1—N1	49.6 (3)
C13—C14—C15—C10	0.1 (6)	C32—N5—Cd1—N1	−112.7 (3)
C11—C10—C15—C14	−1.5 (5)	C31—N5—Cd1—O7iv	−83.7 (3)
C9—C10—C15—C14	177.3 (3)	C32—N5—Cd1—O7iv	113.9 (3)
C11—C12—C16—O8	5.7 (5)	C31—N5—Cd1—O2	179.8 (2)
C13—C12—C16—O8	−174.2 (3)	C32—N5—Cd1—O2	17.5 (3)
C11—C12—C16—O7	−174.4 (3)	C31—N5—Cd1—O1	133.4 (3)
C13—C12—C16—O7	5.7 (5)	C32—N5—Cd1—O1	−28.9 (3)
N1—C18—C19—N2	0.0 (4)	C31—N5—Cd1—C1	154.0 (2)
N2—C20—C21—C22	66.8 (4)	C32—N5—Cd1—C1	−8.3 (3)
N2—C20—C21—C26	−115.0 (4)	C1—O2—Cd1—N1	72.0 (2)
C26—C21—C22—C23	0.4 (5)	C1—O2—Cd1—N5	−65.1 (2)
C20—C21—C22—C23	178.7 (3)	C1—O2—Cd1—O7iv	−174.3 (2)
C21—C22—C23—C24	−0.7 (6)	C1—O2—Cd1—O1	−2.48 (18)
C22—C23—C24—C25	0.6 (5)	C1—O1—Cd1—N1	−107.7 (2)
C22—C23—C24—C27	178.9 (3)	C1—O1—Cd1—N5	131.9 (2)
C23—C24—C25—C26	−0.3 (5)	C1—O1—Cd1—O7iv	15.3 (3)
C27—C24—C25—C26	−178.5 (3)	C1—O1—Cd1—O2	2.53 (18)
C24—C25—C26—C21	0.0 (6)	O1—C1—Cd1—N1	72.2 (2)
C22—C21—C26—C25	0.0 (5)	O2—C1—Cd1—N1	−112.22 (19)
C20—C21—C26—C25	−178.3 (3)	C2—C1—Cd1—N1	−76.3 (16)
C25—C24—C27—N4	−68.2 (4)	O1—C1—Cd1—N5	−50.5 (2)
C23—C24—C27—N4	113.5 (4)	O2—C1—Cd1—N5	125.00 (19)
N3—C29—C30—N4	−0.1 (4)	C2—C1—Cd1—N5	160.9 (16)
N5—C32—C33—N6	0.1 (4)	O1—C1—Cd1—O7iv	−169.35 (18)
N6—C34—C35—C37	−20.1 (5)	O2—C1—Cd1—O7iv	6.2 (2)
N6—C34—C35—C36	161.8 (3)	C2—C1—Cd1—O7iv	42.1 (16)
C37—C35—C36—C37i	0.0 (6)	O1—C1—Cd1—O2	−175.5 (3)
C34—C35—C36—C37i	178.2 (3)	C2—C1—Cd1—O2	35.9 (15)
C43ii—C44—C42—C43	−0.7 (8)	O2—C1—Cd1—O1	175.5 (3)
C43ii—C44—C42—C41	177.7 (4)	C2—C1—Cd1—O1	−148.5 (17)
C44—C42—C43—C44ii	0.7 (8)	C28—N3—Cd2—N7	−74.1 (3)
C41—C42—C43—C44ii	−177.7 (4)	C29—N3—Cd2—N7	120.3 (3)
C36—C35—C37—C36i	0.0 (6)	C28—N3—Cd2—O4iii	154.3 (2)
C34—C35—C37—C36i	−178.1 (4)	C29—N3—Cd2—O4iii	−11.4 (3)
C44—C42—C41—N8	58.7 (5)	C28—N3—Cd2—O5	62.8 (3)
C43—C42—C41—N8	−122.9 (4)	C29—N3—Cd2—O5	−102.8 (3)
N7—C39—C40—N8	0.0 (4)	C28—N3—Cd2—O6	11.4 (3)
N2—C17—N1—C18	0.2 (4)	C29—N3—Cd2—O6	−154.3 (3)
N2—C17—N1—Cd1	168.7 (2)	C28—N3—Cd2—C9	36.9 (3)
C19—C18—N1—C17	−0.1 (4)	C29—N3—Cd2—C9	−128.8 (3)
C19—C18—N1—Cd1	−167.8 (2)	C38—N7—Cd2—N3	−46.5 (3)
N1—C17—N2—C19	−0.1 (4)	C39—N7—Cd2—N3	118.9 (3)
N1—C17—N2—C20	178.1 (3)	C38—N7—Cd2—O4iii	84.5 (3)
C18—C19—N2—C17	0.1 (4)	C39—N7—Cd2—O4iii	−110.1 (3)
C18—C19—N2—C20	−178.3 (3)	C38—N7—Cd2—O5	−177.6 (2)
C21—C20—N2—C17	10.4 (5)	C39—N7—Cd2—O5	−12.2 (3)
C21—C20—N2—C19	−171.6 (3)	C38—N7—Cd2—O6	−130.2 (3)
N4—C28—N3—C29	0.1 (4)	C39—N7—Cd2—O6	35.1 (3)
N4—C28—N3—Cd2	−168.33 (19)	C38—N7—Cd2—C9	−151.5 (3)
C30—C29—N3—C28	0.0 (4)	C39—N7—Cd2—C9	13.9 (3)
C30—C29—N3—Cd2	167.7 (2)	C9—O5—Cd2—N3	−71.0 (2)
N3—C28—N4—C30	−0.2 (4)	C9—O5—Cd2—N7	66.9 (2)
N3—C28—N4—C27	−177.9 (3)	C9—O5—Cd2—O4iii	179.39 (19)
C29—C30—N4—C28	0.2 (4)	C9—O5—Cd2—O6	2.24 (17)
C29—C30—N4—C27	178.0 (3)	C9—O6—Cd2—N3	109.3 (2)
C24—C27—N4—C28	−9.2 (5)	C9—O6—Cd2—N7	−129.7 (2)
C24—C27—N4—C30	173.5 (3)	C9—O6—Cd2—O4iii	−6.8 (3)
N6—C31—N5—C32	−0.4 (4)	C9—O6—Cd2—O5	−2.28 (18)
N6—C31—N5—Cd1	−165.9 (2)	O6—C9—Cd2—N3	−70.66 (19)
C33—C32—N5—C31	0.2 (4)	O5—C9—Cd2—N3	113.36 (19)
C33—C32—N5—Cd1	165.2 (2)	C10—C9—Cd2—N3	83.7 (17)
N5—C31—N6—C33	0.5 (4)	O6—C9—Cd2—N7	52.9 (2)
N5—C31—N6—C34	178.0 (3)	O5—C9—Cd2—N7	−123.11 (18)
C32—C33—N6—C31	−0.3 (4)	C10—C9—Cd2—N7	−152.8 (17)
C32—C33—N6—C34	−177.9 (3)	O6—C9—Cd2—O4iii	175.31 (18)
C35—C34—N6—C31	108.9 (4)	O5—C9—Cd2—O4iii	−0.7 (2)
C35—C34—N6—C33	−74.0 (4)	C10—C9—Cd2—O4iii	−30.3 (18)
N8—C38—N7—C39	0.3 (4)	O6—C9—Cd2—O5	176.0 (3)
N8—C38—N7—Cd2	168.1 (2)	C10—C9—Cd2—O5	−29.7 (17)
C40—C39—N7—C38	−0.1 (4)	O5—C9—Cd2—O6	−176.0 (3)
C40—C39—N7—Cd2	−168.0 (2)	C10—C9—Cd2—O6	154.3 (19)