A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tri­benzoic acid and 1,3-bis­[(imidazol-1-yl)meth­yl]benzene ligands: synthesis, structure and properties

With the rapid development of metal–organic frameworks (MOFs), a variety of MOFs and their derivatives have been synthesized and reported in recent years. Commonly, multifunctional aromatic polycarb­oxy­lic acids and nitrogen-containing ligands are employed to construct MOFs with fascinating structures. 4,4′,4′′-(1,3,5-Triazine-2,4,6-tri­yl)tri­benzoic acid (H₃TATB) and the bidentate nitrogen-containing ligand 1,3-bis­[(imidazol-1-yl)meth­yl]benzene (bib) were selected to prepare a novel Zn^II-MOF under solvothermal conditions, namely poly[[tris­{μ-1,3-bis­[(imidazol-1-yl)meth­yl]benzene}­bis­[μ₃-4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tribenzoato]trizinc(II)] di­methyl­formamide disolvate trihydrate], {[Zn₃(C₂₄H₁₂N₃O₆)₂(C₁₄H₁₄N₄)₃]·2C₃H₇NO·3H₂O}_n (1). The structure of 1 was characterized by single-crystal X-ray diffraction, IR spectroscopy and powder X-ray diffraction. The properties of 1 were investigated by thermogravimetric and fluorescence analysis. Single-crystal X-ray diffraction shows that 1 belongs to the monoclinic space group Pc. The asymmetric unit contains three crystallographically independent Zn^II centres, two 4,4′,4′′-(1,3,5-triazine-2,4,6-tri­yl)tribenzoate (TATB³⁻) anions, three com­plete bib ligands, one and a half free di­methyl­formamide mol­ecules and three guest water mol­ecules. Each Zn^II centre is four-coordinated and displays a distorted tetra­hedral coordination geometry. The Zn^II centres are connected by TATB³⁻ anions to form an angled ladder chain with large windows. Simultaneously, the bib ligands link Zn^II centres to give a helical Zn–bib–Zn chain. Furthermore, adjacent ladders are bridged by Zn–bib–Zn chains to form a fascinating three-dimensional self-penetrated framework with the short Schläfli symbol 6⁵·7·8¹³·9·10. In addition, the luminescence properties of 1 in the solid state and the fluorescence sensing of metal ions in suspension were studied. Significantly, com­pound 1 shows potential application as a fluorescent sensor with sensing properties for Zr⁴⁺ and Cu²⁺ ions.

Computing details

Data collection: APEX3 (Bruker, 2015); cell refinement: SAINT (Bruker, 2015); data reduction: SAINT (Bruker, 2015); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: SHELXTL (Bruker, 2015) and DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: SHELXTL (Bruker, 2015).

Poly[[tris{µ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[µ₃-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]

Crystal data

[Zn3(C24H12N3O6)2(C14H14N4)3]·2C3H7NO·3H2O	F(000) = 2045
Mr = 1987.95	Dx = 1.356 Mg m^−3
Monoclinic, Pc	Mo Kα radiation, λ = 0.71073 Å
a = 16.9080 (11) Å	Cell parameters from 13927 reflections
b = 8.4320 (6) Å	θ = 2.4–25.4°
c = 34.872 (3) Å	µ = 0.81 mm^−1
β = 102.782 (2)°	T = 293 K
V = 4848.4 (6) Å^3	Block, colourless
Z = 2	0.30 × 0.22 × 0.15 mm

Data collection

Bruker D8 Venture Photon 100 diffractometer	12577 reflections with I > 2σ(I)
Radiation source: Incoatec IµS	Rint = 0.051
φ and ω scans	θmax = 25.4°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2015)	h = −20→19
Tmin = 0.807, Tmax = 0.885	k = −10→10
32655 measured reflections	l = −42→42
13927 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.058	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.162	w = 1/[σ^2(Fo^2) + (0.0856P)^2 + 5.4769P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max < 0.001
13927 reflections	Δρmax = 1.01 e Å^−3
1257 parameters	Δρmin = −0.70 e Å^−3
15 restraints	Absolute structure: Refined as an inversion twin.
Primary atom site location: dual	Absolute structure parameter: 0.481 (17)

Special details

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

Refinement. Refined as a 2-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Zn1	0.26501 (5)	0.44412 (11)	0.16555 (3)	0.0298 (2)
Zn2	0.52968 (5)	−0.44322 (11)	0.39260 (2)	0.0290 (2)
Zn3	−0.16808 (6)	1.24880 (12)	0.52930 (3)	0.0351 (2)
C1	−0.1493 (5)	−1.2050 (10)	0.1084 (2)	0.0349 (18)
C2	−0.1207 (5)	−1.1251 (10)	0.1478 (2)	0.0343 (18)
C3	−0.0429 (5)	−1.0587 (10)	0.1586 (2)	0.0363 (19)
H62	−0.007185	−1.067378	0.141936	0.044*
C4	−0.0197 (5)	−0.9805 (11)	0.1940 (3)	0.040 (2)
H63	0.032682	−0.940422	0.201404	0.048*
C5	−0.0727 (5)	−0.9605 (10)	0.2186 (2)	0.0333 (18)
C6	−0.1502 (5)	−1.0266 (11)	0.2083 (3)	0.039 (2)
H58	−0.186207	−1.014301	0.224728	0.047*
C7	−0.1734 (6)	−1.1114 (11)	0.1731 (2)	0.041 (2)
H59	−0.224262	−1.158769	0.166552	0.050*
C8	−0.0480 (5)	−0.8713 (10)	0.2559 (2)	0.0318 (17)
C9	−0.0769 (5)	−0.7488 (11)	0.3092 (3)	0.0350 (18)
C10	−0.1373 (5)	−0.7018 (10)	0.3314 (2)	0.0318 (17)
C11	−0.1163 (5)	−0.6067 (11)	0.3654 (3)	0.0370 (19)
H5'	−0.062673	−0.575393	0.374432	0.044*
C012	0.0881 (10)	−0.374 (2)	0.4524 (5)	0.037 (4)*	0.5
H012	0.107266	−0.271134	0.450450	0.045*	0.5
C12	−0.1733 (5)	−0.5595 (10)	0.3855 (2)	0.0331 (18)
H87'	−0.157955	−0.497226	0.407948	0.040*
C13	−0.2542 (5)	−0.6044 (10)	0.3726 (2)	0.0308 (17)
C14	−0.2752 (5)	−0.6984 (11)	0.3391 (2)	0.038 (2)
H86'	−0.329068	−0.727104	0.329703	0.045*
C15	−0.3185 (5)	−0.5385 (10)	0.3919 (2)	0.0298 (18)
C16	−0.2181 (5)	−0.7490 (12)	0.3199 (3)	0.043 (2)
H55	−0.233325	−0.816835	0.298521	0.051*
C17	0.0516 (5)	−0.7460 (11)	0.2994 (2)	0.0356 (18)
C18	0.1859 (5)	−0.6912 (11)	0.2838 (2)	0.038 (2)
H48	0.165267	−0.728649	0.258481	0.045*
C19	0.1375 (5)	−0.6912 (12)	0.3108 (2)	0.0363 (19)
C20	0.1695 (5)	−0.6435 (14)	0.3497 (2)	0.046 (2)
H49	0.138000	−0.646349	0.368465	0.055*
C21	0.2495 (5)	−0.5919 (13)	0.3595 (2)	0.044 (2)
H47	0.271727	−0.559256	0.385099	0.053*
C22	0.2963 (5)	−0.5883 (11)	0.3319 (2)	0.0339 (18)
C23	0.3818 (5)	−0.5234 (11)	0.3433 (3)	0.0365 (19)
C24	0.5842 (6)	−0.3906 (12)	0.4825 (3)	0.044 (2)
H13	0.639661	−0.403583	0.484570	0.053*
C25	0.5490 (7)	−0.3471 (13)	0.5118 (3)	0.050 (2)
H12	0.575503	−0.323916	0.537496	0.060*
C26	0.4555 (6)	−0.3848 (11)	0.4601 (3)	0.041 (2)
H14	0.404308	−0.393680	0.443670	0.049*
C27	0.4058 (8)	−0.3010 (14)	0.5183 (3)	0.062 (3)
H11A	0.398613	−0.387256	0.535602	0.074*
H11B	0.354843	−0.284631	0.499533	0.074*
C28	0.4292 (5)	−0.1496 (11)	0.5425 (3)	0.040 (2)
C29	0.4309 (6)	−0.1509 (12)	0.5823 (3)	0.045 (2)
H10	0.415872	−0.240588	0.594538	0.054*
C30	0.4551 (8)	−0.0169 (15)	0.6029 (3)	0.061 (3)
H5	0.454681	−0.015284	0.629530	0.074*
C31	0.4802 (6)	0.1163 (13)	0.5866 (3)	0.051 (3)
H6	0.499288	0.203550	0.602256	0.061*
C32	0.4769 (5)	0.1199 (11)	0.5471 (3)	0.0408 (19)
C33	0.4511 (6)	−0.0147 (11)	0.5243 (3)	0.042 (2)
H9	0.448559	−0.014030	0.497359	0.050*
C34	0.5050 (7)	0.2644 (11)	0.5275 (3)	0.050 (2)
H4A	0.462325	0.295126	0.505306	0.060*
H4B	0.513219	0.351750	0.546114	0.060*
C35	0.6556 (6)	0.2597 (12)	0.5349 (3)	0.047 (2)
H2	0.667954	0.290619	0.561146	0.056*
C36	0.5867 (6)	0.1937 (12)	0.4776 (3)	0.046 (2)
H3	0.544517	0.170575	0.456237	0.055*
C37	0.6669 (6)	0.1881 (12)	0.4784 (3)	0.044 (2)
H1	0.689313	0.158981	0.457418	0.053*
C38	0.5768 (6)	−0.0997 (12)	0.3997 (3)	0.044 (2)
H16	0.604556	−0.112947	0.425663	0.053*
C39	0.5091 (5)	−0.1498 (10)	0.3415 (3)	0.0378 (19)
H18	0.480488	−0.203508	0.319455	0.045*
C40	0.5674 (6)	0.0405 (12)	0.3793 (3)	0.043 (2)
H17	0.585998	0.139964	0.388787	0.052*
C41	0.4964 (6)	0.1208 (11)	0.3093 (3)	0.042 (2)
H19A	0.440952	0.152148	0.308716	0.050*
H19B	0.530168	0.215028	0.313389	0.050*
C42	0.5777 (6)	0.0257 (13)	0.2610 (3)	0.051 (2)
H21	0.624374	0.067358	0.277119	0.061*
C43	0.4335 (6)	−0.0161 (11)	0.2468 (3)	0.0398 (19)
H25	0.383603	−0.003841	0.253487	0.048*
C44	0.5013 (6)	0.0431 (10)	0.2713 (3)	0.040 (2)
C45	0.5819 (7)	−0.0539 (13)	0.2268 (3)	0.059 (3)
H22	0.631779	−0.067616	0.220151	0.070*
C46	0.5117 (7)	−0.1136 (13)	0.2022 (3)	0.053 (3)
H23	0.514946	−0.166701	0.179256	0.063*
C47	0.4365 (6)	−0.0938 (11)	0.2121 (3)	0.044 (2)
C48	0.3609 (7)	−0.1569 (11)	0.1856 (3)	0.049 (2)
H27A	0.373581	−0.197349	0.161611	0.058*
H27B	0.339544	−0.243689	0.198513	0.058*
C49	0.2196 (8)	−0.0354 (13)	0.1753 (3)	0.054 (3)
H31	0.190665	−0.125136	0.179506	0.065*
C50	0.1882 (6)	0.1080 (14)	0.1678 (3)	0.053 (3)
H30	0.134310	0.136541	0.165917	0.063*
C51	0.3155 (6)	0.1175 (10)	0.1675 (3)	0.0390 (19)
H28	0.366046	0.153712	0.164914	0.047*
C52	0.1918 (5)	0.6315 (10)	0.0948 (2)	0.0348 (18)
H33	0.142746	0.636758	0.102634	0.042*
C53	0.3168 (5)	0.5829 (11)	0.0937 (3)	0.038 (2)
H87	0.369966	0.546925	0.101204	0.046*
C54	0.2843 (6)	0.6600 (12)	0.0595 (3)	0.042 (2)
H32	0.310699	0.686686	0.039671	0.051*
C55	0.1460 (6)	0.7760 (12)	0.0297 (3)	0.044 (2)
H34A	0.094263	0.721349	0.024638	0.052*
H34B	0.165264	0.777553	0.005493	0.052*
C56	0.1972 (6)	1.0559 (13)	0.0455 (3)	0.054 (3)
H36	0.245496	1.026471	0.038807	0.064*
C57	0.1349 (5)	0.9460 (10)	0.0428 (2)	0.0372 (19)
C58	0.1876 (7)	1.2094 (14)	0.0581 (4)	0.062 (3)
H40	0.228812	1.283365	0.059240	0.074*
C59	0.1166 (7)	1.2523 (13)	0.0688 (3)	0.056 (3)
H39	0.110747	1.355146	0.077423	0.067*
C60	0.0540 (5)	1.1441 (10)	0.0670 (2)	0.0356 (18)
C61	0.0640 (5)	0.9905 (11)	0.0546 (2)	0.0350 (18)
H35	0.023239	0.916021	0.054195	0.042*
C62	−0.0206 (5)	1.1921 (10)	0.0803 (2)	0.0346 (18)
H41A	−0.051675	1.097661	0.082972	0.042*
H41B	−0.004554	1.240521	0.106079	0.042*
C63	−0.0782 (5)	1.4595 (10)	0.0590 (3)	0.0344 (18)
H44	−0.048384	1.514688	0.080534	0.041*
C64	−0.1616 (6)	1.4038 (11)	0.0035 (3)	0.040 (2)
H43	−0.199808	1.414271	−0.020031	0.048*
C65	−0.1260 (5)	1.2687 (11)	0.0182 (3)	0.039 (2)
H42	−0.134932	1.168888	0.006677	0.046*
C66	0.1153 (5)	0.5140 (11)	0.1796 (3)	0.0336 (19)
C67	0.0551 (5)	0.5511 (10)	0.2039 (2)	0.0320 (18)
C68	0.0746 (5)	0.6445 (12)	0.2376 (3)	0.043 (2)
H70	0.126181	0.688411	0.245304	0.052*
C69	0.0185 (5)	0.6717 (12)	0.2594 (3)	0.043 (2)
H67	0.032909	0.731754	0.282203	0.051*
C70	−0.0594 (5)	0.6125 (11)	0.2485 (2)	0.0350 (18)
C71	−0.0797 (6)	0.5169 (13)	0.2150 (3)	0.048 (2)
H68	−0.131006	0.471590	0.207878	0.058*
C72	−0.0231 (5)	0.4899 (12)	0.1925 (3)	0.043 (2)
H66	−0.037398	0.430288	0.169590	0.052*
C73	−0.1219 (5)	0.6456 (10)	0.2708 (2)	0.0329 (18)
C74	−0.2534 (5)	0.6219 (11)	0.2754 (2)	0.0346 (19)
C75	−0.1641 (5)	0.7578 (10)	0.3216 (2)	0.0304 (17)
C76	−0.1464 (5)	0.8505 (10)	0.3589 (2)	0.0335 (18)
C77	−0.0734 (5)	0.9344 (11)	0.3707 (3)	0.0374 (19)
H83	−0.034738	0.929404	0.355496	0.045*
C78	−0.0583 (6)	1.0239 (11)	0.4045 (3)	0.042 (2)
H82	−0.010405	1.081785	0.411146	0.050*
C79	−0.1134 (5)	1.0297 (10)	0.4290 (2)	0.0348 (18)
C80	−0.1849 (5)	0.9446 (10)	0.4178 (3)	0.038 (2)
H80	−0.222126	0.945222	0.433893	0.046*
C81	−0.0967 (6)	1.1293 (11)	0.4661 (3)	0.040 (2)
C82	−0.2021 (5)	0.8575 (11)	0.3827 (3)	0.0378 (19)
H79	−0.251159	0.803930	0.375359	0.045*
C83	−0.3349 (5)	0.5619 (12)	0.2577 (3)	0.039 (2)
C84	−0.4007 (5)	0.5783 (12)	0.2757 (2)	0.037 (2)
H74	−0.392604	0.618528	0.301077	0.045*
C85	−0.4779 (5)	0.5348 (11)	0.2557 (3)	0.039 (2)
H75	−0.521267	0.547203	0.267880	0.047*
C86	−0.3494 (6)	0.4997 (19)	0.2196 (4)	0.076 (4)
H76	−0.306616	0.488080	0.207056	0.092*
C87	−0.4274 (6)	0.4551 (18)	0.2002 (4)	0.078 (5)
H1'	−0.435778	0.412669	0.175022	0.093*
C88	−0.4917 (5)	0.4725 (12)	0.2175 (3)	0.038 (2)
C89	−0.5747 (5)	0.4436 (10)	0.1934 (3)	0.0358 (19)
C93	0.2635 (5)	−0.6373 (12)	0.2937 (3)	0.042 (2)
H93	0.294668	−0.633125	0.274828	0.050*
C95	0.6653 (10)	−0.438 (2)	0.6128 (4)	0.083 (5)
H95	0.695928	−0.530040	0.617131	0.100*
C96	0.6668 (13)	−0.154 (2)	0.6121 (9)	0.185 (14)
H96A	0.704519	−0.067436	0.616621	0.278*
H96B	0.635420	−0.149397	0.585530	0.278*
H96C	0.631224	−0.146902	0.629987	0.278*
C97	0.7953 (10)	−0.291 (2)	0.6276 (5)	0.094 (5)
H97A	0.815387	−0.397791	0.630702	0.140*
H97B	0.814858	−0.239912	0.606906	0.140*
H97C	0.813814	−0.233848	0.651722	0.140*
C98	0.283 (2)	−0.157 (5)	0.3972 (8)	0.116 (14)	0.5
H98	0.252062	−0.216392	0.411132	0.139*	0.5
C99	0.305 (2)	−0.027 (3)	0.3399 (8)	0.091 (10)	0.5
H99A	0.280071	−0.003733	0.313006	0.137*	0.5
H99B	0.318699	0.070591	0.354087	0.137*	0.5
H99C	0.353952	−0.087004	0.340809	0.137*	0.5
C100	0.1756 (12)	−0.178 (3)	0.3349 (7)	0.064 (6)	0.5
H10A	0.166473	−0.133664	0.308930	0.096*	0.5
H10B	0.178242	−0.291027	0.333477	0.096*	0.5
H10C	0.131877	−0.147767	0.346953	0.096*	0.5
C102	0.2280 (13)	−0.421 (3)	0.4532 (7)	0.056 (5)*	0.5
H10D	0.261999	−0.507866	0.449395	0.085*	0.5
H10E	0.230434	−0.339416	0.434212	0.085*	0.5
H10F	0.246591	−0.378598	0.479221	0.085*	0.5
C103	0.1316 (19)	−0.634 (3)	0.4330 (12)	0.116 (12)*	0.5
H10G	0.182578	−0.683647	0.433044	0.174*	0.5
H10H	0.103261	−0.693633	0.449204	0.174*	0.5
H10I	0.099484	−0.629527	0.406638	0.174*	0.5
N1	0.2577 (4)	0.5666 (8)	0.1154 (2)	0.0331 (15)
N2	0.2043 (4)	0.6909 (9)	0.0600 (2)	0.0349 (15)
N3	0.2506 (4)	0.2081 (8)	0.1631 (2)	0.0331 (15)
N4	0.3003 (5)	−0.0322 (9)	0.1761 (2)	0.0443 (18)
N5	0.5252 (4)	0.0045 (9)	0.3423 (2)	0.0363 (16)
N6	0.5384 (4)	−0.2169 (8)	0.37536 (19)	0.0313 (15)
N7	0.5252 (4)	−0.4128 (9)	0.44889 (19)	0.0346 (16)
N8	0.4687 (5)	−0.3431 (9)	0.4974 (2)	0.0413 (18)
N11	−0.0733 (4)	1.3039 (8)	0.0537 (2)	0.0338 (15)
N12	−0.1318 (4)	1.5259 (8)	0.0294 (2)	0.0377 (16)
N13	0.0302 (4)	−0.8301 (9)	0.2662 (2)	0.0370 (17)
N14	0.0001 (4)	−0.7019 (9)	0.3223 (2)	0.0338 (15)
N15	−0.1042 (4)	−0.8344 (9)	0.27640 (19)	0.0342 (16)
N16	−0.1951 (4)	0.5878 (9)	0.2561 (2)	0.0372 (16)
N17	−0.1028 (4)	0.7326 (9)	0.30387 (19)	0.0328 (15)
N18	−0.2409 (4)	0.7058 (9)	0.3090 (2)	0.0336 (15)
N19	0.5797 (5)	0.2395 (9)	0.5138 (2)	0.0397 (17)
N20	0.7100 (4)	0.2313 (9)	0.5146 (2)	0.0380 (16)
N21	0.7079 (9)	−0.2933 (18)	0.6178 (4)	0.098 (4)
N22	0.1456 (16)	−0.475 (4)	0.4484 (15)	0.179 (18)*	0.5
N23	0.2496 (11)	−0.119 (2)	0.3578 (5)	0.049 (4)	0.5
O1	−0.3914 (3)	−0.5794 (7)	0.37600 (17)	0.0327 (13)
O2	−0.3000 (4)	−0.4471 (8)	0.42057 (19)	0.0406 (15)
O3	−0.1143 (4)	−1.1620 (7)	0.08136 (17)	0.0398 (14)
O4	−0.2033 (4)	−1.3038 (8)	0.10418 (18)	0.0507 (17)
O5	0.4086 (4)	−0.4486 (9)	0.31775 (18)	0.0471 (17)
O6	0.4217 (4)	−0.5483 (8)	0.37772 (18)	0.0426 (15)
O7	0.1903 (4)	0.5468 (7)	0.19462 (19)	0.0404 (15)
O8	0.0928 (4)	0.4529 (9)	0.14648 (19)	0.0473 (18)
O9	−0.6354 (3)	0.4747 (8)	0.20803 (18)	0.0390 (14)
O10	−0.5816 (4)	0.3934 (9)	0.15923 (19)	0.0482 (16)
O11	−0.1485 (4)	1.1106 (8)	0.48773 (19)	0.0447 (15)
O12	−0.0370 (4)	1.2177 (9)	0.4732 (2)	0.0558 (18)
O20	0.5884 (8)	−0.4536 (14)	0.6029 (3)	0.101 (4)
O21	0.3498 (17)	−0.114 (3)	0.4133 (8)	0.115 (8)*	0.5
O22	0.0076 (10)	−0.363 (2)	0.4585 (5)	0.077 (5)	0.5
O1W	0.4026 (5)	0.1934 (11)	0.4276 (2)	0.065 (2)
O2W	0.2868 (5)	−0.2739 (10)	0.2617 (3)	0.064 (2)
O3W	0.2940 (9)	0.7218 (17)	−0.0291 (4)	0.078 (3)*	0.7
O3W'	0.3058 (16)	0.616 (3)	−0.0304 (8)	0.057 (6)*	0.3
H1WA	0.408 (7)	0.260 (12)	0.409 (3)	0.086*
H1WB	0.356 (4)	0.219 (14)	0.432 (4)	0.086*
H2WA	0.332 (4)	−0.322 (13)	0.265 (4)	0.086*
H2WB	0.255 (5)	−0.322 (14)	0.243 (3)	0.086*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0206 (4)	0.0438 (5)	0.0255 (5)	−0.0005 (4)	0.0060 (4)	−0.0020 (4)
Zn2	0.0202 (4)	0.0449 (5)	0.0219 (4)	−0.0012 (4)	0.0044 (3)	−0.0034 (4)
Zn3	0.0330 (5)	0.0378 (5)	0.0290 (5)	−0.0014 (4)	−0.0051 (4)	−0.0020 (4)
C1	0.032 (4)	0.038 (4)	0.030 (4)	0.001 (4)	−0.002 (3)	0.003 (3)
C2	0.039 (5)	0.039 (4)	0.021 (4)	0.001 (4)	−0.001 (3)	0.002 (3)
C3	0.031 (4)	0.049 (5)	0.028 (4)	0.000 (4)	0.004 (4)	−0.004 (4)
C4	0.027 (4)	0.053 (5)	0.034 (5)	−0.004 (4)	−0.005 (4)	0.000 (4)
C5	0.028 (4)	0.044 (5)	0.025 (4)	−0.004 (4)	−0.001 (3)	−0.003 (3)
C6	0.022 (4)	0.061 (6)	0.032 (5)	−0.004 (4)	0.002 (3)	−0.002 (4)
C7	0.037 (5)	0.056 (5)	0.026 (4)	−0.009 (4)	−0.003 (4)	0.000 (4)
C8	0.025 (4)	0.050 (5)	0.019 (4)	−0.003 (4)	0.001 (3)	0.000 (3)
C9	0.022 (4)	0.048 (5)	0.034 (4)	0.002 (4)	0.002 (3)	0.000 (4)
C10	0.023 (4)	0.050 (5)	0.023 (4)	0.003 (4)	0.006 (3)	−0.002 (3)
C11	0.016 (4)	0.056 (5)	0.037 (5)	−0.001 (4)	0.004 (3)	−0.006 (4)
C12	0.022 (4)	0.053 (5)	0.024 (4)	0.003 (4)	0.003 (3)	−0.006 (4)
C13	0.026 (4)	0.041 (4)	0.026 (4)	0.001 (3)	0.007 (3)	0.003 (3)
C14	0.021 (4)	0.061 (5)	0.032 (4)	−0.010 (4)	0.008 (3)	−0.015 (4)
C15	0.030 (4)	0.040 (4)	0.021 (4)	0.004 (4)	0.007 (3)	0.001 (3)
C16	0.033 (5)	0.065 (6)	0.032 (5)	−0.012 (4)	0.010 (4)	−0.015 (4)
C17	0.024 (4)	0.060 (5)	0.021 (4)	−0.002 (4)	0.000 (3)	−0.001 (4)
C18	0.023 (4)	0.062 (6)	0.027 (4)	−0.011 (4)	0.006 (3)	−0.010 (4)
C19	0.023 (4)	0.064 (6)	0.022 (4)	−0.002 (4)	0.004 (3)	−0.005 (4)
C20	0.022 (4)	0.095 (8)	0.025 (4)	−0.009 (5)	0.011 (3)	−0.021 (5)
C21	0.030 (5)	0.087 (7)	0.016 (4)	−0.011 (5)	0.005 (3)	−0.014 (4)
C22	0.019 (4)	0.053 (5)	0.028 (4)	−0.007 (4)	0.002 (3)	−0.006 (4)
C23	0.021 (4)	0.057 (5)	0.030 (5)	−0.007 (4)	0.005 (3)	−0.011 (4)
C24	0.033 (5)	0.065 (6)	0.032 (5)	−0.001 (4)	0.002 (4)	−0.002 (4)
C25	0.061 (7)	0.065 (6)	0.023 (4)	0.004 (5)	0.007 (4)	−0.009 (4)
C26	0.041 (5)	0.057 (5)	0.026 (4)	−0.007 (4)	0.012 (4)	−0.002 (4)
C27	0.083 (8)	0.068 (6)	0.053 (6)	−0.033 (6)	0.053 (6)	−0.019 (5)
C28	0.039 (5)	0.056 (5)	0.031 (4)	−0.011 (4)	0.022 (4)	−0.005 (4)
C29	0.047 (5)	0.064 (6)	0.028 (5)	−0.006 (5)	0.016 (4)	0.005 (4)
C30	0.078 (8)	0.078 (7)	0.031 (5)	−0.021 (6)	0.019 (5)	−0.016 (5)
C31	0.052 (6)	0.068 (6)	0.042 (5)	−0.012 (5)	0.027 (5)	−0.022 (5)
C32	0.032 (4)	0.048 (5)	0.039 (5)	0.002 (4)	0.000 (4)	−0.003 (4)
C33	0.049 (5)	0.054 (5)	0.022 (4)	−0.006 (5)	0.008 (4)	−0.001 (4)
C34	0.052 (6)	0.045 (5)	0.048 (6)	0.004 (5)	0.002 (5)	−0.002 (4)
C35	0.048 (6)	0.046 (5)	0.038 (5)	0.001 (5)	−0.006 (4)	0.003 (4)
C36	0.038 (5)	0.053 (5)	0.042 (5)	−0.006 (4)	−0.004 (4)	−0.008 (4)
C37	0.034 (5)	0.060 (6)	0.034 (5)	−0.006 (4)	0.002 (4)	−0.008 (4)
C38	0.035 (5)	0.050 (5)	0.041 (5)	−0.006 (4)	−0.003 (4)	−0.006 (4)
C39	0.032 (4)	0.045 (5)	0.034 (5)	0.000 (4)	0.001 (4)	−0.009 (4)
C40	0.049 (6)	0.053 (6)	0.027 (5)	−0.011 (5)	0.005 (4)	−0.007 (4)
C41	0.042 (5)	0.043 (5)	0.037 (5)	−0.003 (4)	0.002 (4)	0.000 (4)
C42	0.040 (5)	0.064 (6)	0.044 (6)	−0.003 (5)	0.002 (4)	0.008 (5)
C43	0.040 (5)	0.045 (5)	0.030 (5)	0.004 (4)	−0.003 (4)	0.003 (4)
C44	0.044 (5)	0.039 (5)	0.034 (5)	−0.006 (4)	0.001 (4)	−0.001 (4)
C45	0.052 (6)	0.074 (7)	0.051 (7)	−0.002 (6)	0.014 (5)	0.008 (5)
C46	0.067 (7)	0.063 (6)	0.027 (5)	0.015 (6)	0.009 (5)	0.006 (4)
C47	0.052 (6)	0.043 (5)	0.031 (5)	0.005 (4)	−0.003 (4)	0.004 (4)
C48	0.062 (6)	0.038 (5)	0.039 (5)	0.001 (5)	−0.002 (5)	−0.007 (4)
C49	0.061 (7)	0.049 (6)	0.045 (6)	−0.014 (5)	−0.003 (5)	0.004 (5)
C50	0.026 (5)	0.067 (7)	0.061 (7)	−0.014 (5)	0.001 (4)	0.012 (5)
C51	0.042 (5)	0.042 (5)	0.034 (5)	0.000 (4)	0.010 (4)	−0.002 (4)
C52	0.026 (4)	0.044 (5)	0.033 (4)	−0.001 (4)	0.005 (3)	0.001 (4)
C53	0.027 (4)	0.052 (5)	0.038 (5)	0.005 (4)	0.014 (4)	0.000 (4)
C54	0.039 (5)	0.064 (6)	0.028 (4)	0.001 (4)	0.016 (4)	0.005 (4)
C55	0.040 (5)	0.062 (6)	0.026 (4)	0.005 (5)	0.001 (4)	0.000 (4)
C56	0.035 (5)	0.068 (7)	0.061 (7)	−0.002 (5)	0.017 (5)	−0.010 (5)
C57	0.035 (5)	0.044 (5)	0.029 (4)	0.007 (4)	0.000 (4)	0.001 (4)
C58	0.046 (6)	0.060 (7)	0.081 (8)	−0.017 (5)	0.016 (6)	−0.019 (6)
C59	0.049 (6)	0.057 (6)	0.059 (7)	−0.007 (5)	0.006 (5)	−0.022 (5)
C60	0.034 (4)	0.038 (4)	0.033 (5)	0.000 (4)	0.006 (4)	0.007 (4)
C61	0.027 (4)	0.046 (5)	0.029 (4)	0.002 (4)	−0.001 (3)	0.001 (4)
C62	0.038 (5)	0.037 (4)	0.026 (4)	0.007 (4)	0.002 (4)	0.004 (3)
C63	0.029 (4)	0.038 (4)	0.031 (4)	−0.004 (3)	−0.004 (3)	0.001 (3)
C64	0.039 (5)	0.048 (5)	0.028 (4)	−0.002 (4)	−0.003 (4)	−0.003 (4)
C65	0.035 (5)	0.041 (5)	0.035 (5)	−0.005 (4)	−0.002 (4)	−0.009 (4)
C66	0.031 (4)	0.043 (5)	0.031 (5)	0.000 (4)	0.014 (4)	0.001 (4)
C67	0.026 (4)	0.041 (4)	0.031 (4)	0.002 (3)	0.010 (3)	0.003 (3)
C68	0.023 (4)	0.066 (6)	0.040 (5)	−0.008 (4)	0.008 (4)	−0.005 (4)
C69	0.028 (4)	0.067 (6)	0.035 (5)	−0.003 (4)	0.013 (4)	−0.013 (4)
C70	0.024 (4)	0.055 (5)	0.024 (4)	0.000 (4)	0.002 (3)	−0.001 (4)
C71	0.027 (5)	0.071 (6)	0.049 (6)	−0.007 (5)	0.014 (4)	−0.020 (5)
C72	0.030 (5)	0.064 (6)	0.037 (5)	−0.004 (4)	0.010 (4)	−0.015 (4)
C73	0.027 (4)	0.043 (5)	0.028 (4)	0.003 (4)	0.006 (3)	0.000 (4)
C74	0.022 (4)	0.055 (5)	0.026 (4)	0.007 (4)	0.004 (3)	0.003 (4)
C75	0.022 (4)	0.048 (5)	0.020 (4)	0.002 (3)	0.003 (3)	−0.007 (3)
C76	0.031 (4)	0.043 (5)	0.024 (4)	0.000 (4)	0.000 (3)	−0.001 (3)
C77	0.032 (4)	0.052 (5)	0.029 (4)	0.001 (4)	0.008 (4)	−0.006 (4)
C78	0.030 (4)	0.045 (5)	0.048 (6)	−0.007 (4)	0.004 (4)	0.001 (4)
C79	0.036 (5)	0.039 (4)	0.026 (4)	−0.001 (4)	0.000 (3)	−0.001 (3)
C80	0.029 (4)	0.051 (5)	0.036 (5)	−0.001 (4)	0.011 (4)	−0.008 (4)
C81	0.041 (5)	0.037 (4)	0.035 (5)	0.004 (4)	−0.008 (4)	0.006 (4)
C82	0.031 (4)	0.048 (5)	0.033 (4)	−0.001 (4)	0.004 (4)	−0.007 (4)
C83	0.025 (4)	0.065 (6)	0.029 (4)	−0.003 (4)	0.007 (4)	−0.011 (4)
C84	0.023 (4)	0.068 (6)	0.021 (4)	−0.002 (4)	0.006 (3)	−0.005 (4)
C85	0.028 (4)	0.061 (6)	0.028 (4)	0.005 (4)	0.005 (4)	−0.004 (4)
C86	0.023 (5)	0.142 (12)	0.067 (8)	−0.018 (6)	0.018 (5)	−0.061 (8)
C87	0.025 (5)	0.151 (13)	0.058 (7)	−0.013 (6)	0.011 (5)	−0.058 (8)
C88	0.026 (4)	0.059 (6)	0.028 (4)	−0.007 (4)	0.005 (3)	−0.009 (4)
C89	0.032 (5)	0.038 (4)	0.037 (5)	−0.004 (4)	0.007 (4)	0.004 (4)
C93	0.030 (4)	0.069 (6)	0.029 (4)	−0.004 (4)	0.011 (4)	−0.006 (4)
C95	0.077 (10)	0.138 (14)	0.037 (6)	0.043 (10)	0.020 (7)	0.009 (7)
C96	0.122 (17)	0.079 (12)	0.29 (3)	0.002 (12)	−0.10 (2)	−0.040 (17)
C97	0.080 (10)	0.105 (11)	0.086 (11)	0.001 (9)	−0.003 (8)	−0.012 (9)
C98	0.11 (2)	0.15 (3)	0.070 (19)	−0.10 (2)	−0.016 (17)	0.028 (19)
C99	0.14 (3)	0.065 (15)	0.09 (2)	0.041 (17)	0.06 (2)	−0.003 (14)
C100	0.034 (10)	0.100 (18)	0.053 (13)	−0.014 (11)	0.001 (9)	−0.031 (12)
N1	0.027 (3)	0.041 (4)	0.032 (4)	0.000 (3)	0.007 (3)	−0.006 (3)
N2	0.028 (4)	0.045 (4)	0.031 (4)	−0.001 (3)	0.004 (3)	−0.001 (3)
N3	0.036 (4)	0.032 (3)	0.029 (4)	−0.001 (3)	0.002 (3)	0.002 (3)
N4	0.045 (5)	0.041 (4)	0.037 (4)	−0.004 (4)	−0.014 (3)	0.004 (3)
N5	0.036 (4)	0.044 (4)	0.028 (4)	−0.008 (3)	0.005 (3)	−0.003 (3)
N6	0.028 (3)	0.041 (4)	0.022 (3)	−0.006 (3)	0.001 (3)	0.001 (3)
N7	0.032 (4)	0.050 (4)	0.022 (3)	−0.002 (3)	0.007 (3)	0.000 (3)
N8	0.055 (5)	0.048 (4)	0.025 (4)	−0.007 (4)	0.019 (4)	−0.008 (3)
N11	0.031 (4)	0.039 (4)	0.028 (4)	0.002 (3)	−0.002 (3)	0.000 (3)
N12	0.039 (4)	0.035 (4)	0.034 (4)	0.003 (3)	−0.002 (3)	0.002 (3)
N13	0.021 (3)	0.062 (5)	0.027 (4)	0.001 (3)	0.002 (3)	−0.013 (3)
N14	0.023 (3)	0.053 (4)	0.026 (3)	0.000 (3)	0.006 (3)	−0.006 (3)
N15	0.025 (3)	0.054 (4)	0.022 (3)	0.000 (3)	0.002 (3)	−0.006 (3)
N16	0.025 (4)	0.063 (5)	0.023 (3)	−0.005 (3)	0.003 (3)	−0.005 (3)
N17	0.024 (3)	0.050 (4)	0.024 (3)	0.000 (3)	0.004 (3)	−0.001 (3)
N18	0.021 (3)	0.052 (4)	0.027 (3)	0.003 (3)	0.004 (3)	−0.006 (3)
N19	0.035 (4)	0.041 (4)	0.036 (4)	−0.002 (3)	−0.006 (3)	0.001 (3)
N20	0.033 (4)	0.043 (4)	0.033 (4)	−0.004 (3)	−0.004 (3)	0.000 (3)
N21	0.086 (9)	0.102 (10)	0.089 (9)	0.015 (8)	−0.017 (7)	−0.038 (8)
N23	0.056 (10)	0.051 (9)	0.035 (9)	−0.027 (8)	−0.001 (7)	0.001 (7)
O1	0.021 (3)	0.048 (3)	0.031 (3)	−0.003 (2)	0.008 (2)	−0.006 (3)
O2	0.031 (3)	0.058 (4)	0.031 (3)	−0.001 (3)	0.004 (3)	−0.007 (3)
O3	0.039 (3)	0.049 (4)	0.028 (3)	−0.009 (3)	0.001 (3)	−0.001 (3)
O4	0.052 (4)	0.061 (4)	0.031 (3)	−0.017 (4)	−0.007 (3)	0.002 (3)
O5	0.033 (3)	0.080 (5)	0.029 (3)	−0.025 (3)	0.008 (3)	−0.008 (3)
O6	0.023 (3)	0.075 (5)	0.028 (3)	−0.011 (3)	0.002 (3)	−0.002 (3)
O7	0.026 (3)	0.058 (4)	0.036 (3)	−0.001 (3)	0.005 (3)	−0.001 (3)
O8	0.034 (3)	0.083 (5)	0.029 (3)	−0.006 (3)	0.016 (3)	−0.010 (3)
O9	0.020 (3)	0.059 (4)	0.037 (3)	0.001 (3)	0.004 (2)	−0.001 (3)
O10	0.036 (3)	0.073 (4)	0.033 (4)	−0.001 (3)	0.002 (3)	−0.006 (3)
O11	0.050 (4)	0.046 (3)	0.037 (3)	−0.001 (3)	0.006 (3)	−0.006 (3)
O12	0.055 (4)	0.065 (5)	0.040 (4)	−0.016 (4)	−0.004 (3)	−0.012 (3)
O20	0.120 (10)	0.116 (9)	0.055 (6)	0.031 (7)	−0.006 (6)	−0.015 (5)
O22	0.067 (11)	0.104 (14)	0.060 (11)	0.027 (10)	0.012 (9)	0.007 (10)
O1W	0.045 (4)	0.093 (6)	0.054 (5)	−0.002 (4)	0.004 (4)	0.006 (4)
O2W	0.059 (5)	0.079 (6)	0.055 (5)	−0.003 (4)	0.011 (4)	−0.005 (4)

Geometric parameters (Å, º)

Zn1—O7	1.985 (6)	C49—H31	0.9300
Zn1—O9^i	1.998 (6)	C50—N3	1.389 (11)
Zn1—N3	2.005 (7)	C50—H30	0.9300
Zn1—N1	2.010 (7)	C51—N3	1.317 (11)
Zn2—O1^i	1.943 (6)	C51—N4	1.335 (12)
Zn2—O6	1.993 (6)	C51—H28	0.9300
Zn2—N7	1.997 (6)	C52—N1	1.306 (11)
Zn2—N6	2.016 (7)	C52—N2	1.369 (11)
Zn3—O11	1.945 (6)	C52—H33	0.9300
Zn3—O3^ii	1.982 (6)	C53—C54	1.362 (13)
Zn3—N12^iii	1.996 (7)	C53—N1	1.389 (10)
Zn3—N20^iv	2.016 (8)	C53—H87	0.9300
C1—O4	1.222 (10)	C54—N2	1.382 (11)
C1—O3	1.271 (10)	C54—H32	0.9300
C1—C2	1.511 (12)	C55—N2	1.464 (12)
C2—C7	1.388 (12)	C55—C57	1.529 (13)
C2—C3	1.402 (12)	C55—H34A	0.9700
C3—C4	1.376 (12)	C55—H34B	0.9700
C3—H62	0.9300	C56—C58	1.388 (15)
C4—C5	1.382 (12)	C56—C57	1.391 (14)
C4—H63	0.9300	C56—H36	0.9300
C5—C6	1.395 (12)	C57—C61	1.402 (12)
C5—C8	1.481 (11)	C58—C59	1.382 (15)
C6—C7	1.401 (12)	C58—H40	0.9300
C6—H58	0.9300	C59—C60	1.389 (13)
C7—H59	0.9300	C59—H39	0.9300
C8—N13	1.337 (10)	C60—C61	1.387 (13)
C8—N15	1.345 (10)	C60—C62	1.492 (11)
C9—N14	1.340 (10)	C61—H35	0.9300
C9—N15	1.345 (11)	C62—N11	1.476 (10)
C9—C10	1.467 (10)	C62—H41A	0.9700
C10—C16	1.394 (12)	C62—H41B	0.9700
C10—C11	1.410 (12)	C63—N11	1.331 (11)
C11—C12	1.369 (11)	C63—N12	1.337 (11)
C11—H5'	0.9300	C63—H44	0.9300
C012—N22	1.33 (2)	C64—C65	1.337 (13)
C012—O22	1.426 (18)	C64—N12	1.389 (12)
C012—H012	0.9300	C64—H43	0.9300
C12—C13	1.395 (11)	C65—N11	1.388 (11)
C12—H87'	0.9300	C65—H42	0.9300
C13—C14	1.390 (12)	C66—O8	1.245 (11)
C13—C15	1.506 (11)	C66—O7	1.290 (11)
C14—C16	1.359 (11)	C66—C67	1.494 (10)
C14—H86'	0.9300	C67—C72	1.393 (12)
C15—O2	1.246 (10)	C67—C68	1.394 (13)
C15—O1	1.283 (10)	C68—C69	1.358 (11)
C16—H55	0.9300	C68—H70	0.9300
C17—N13	1.338 (11)	C69—C70	1.380 (12)
C17—N14	1.359 (10)	C69—H67	0.9300
C17—C19	1.492 (11)	C70—C71	1.398 (13)
C18—C93	1.359 (12)	C70—C73	1.472 (11)
C18—C19	1.378 (11)	C71—C72	1.384 (12)
C18—H48	0.9300	C71—H68	0.9300
C19—C20	1.404 (12)	C72—H66	0.9300
C20—C21	1.390 (12)	C73—N16	1.324 (11)
C20—H49	0.9300	C73—N17	1.344 (11)
C21—C22	1.376 (11)	C74—N16	1.341 (10)
C21—H47	0.9300	C74—N18	1.347 (11)
C22—C93	1.387 (12)	C74—C83	1.469 (12)
C22—C23	1.514 (11)	C75—N17	1.336 (9)
C23—O5	1.254 (11)	C75—N18	1.349 (10)
C23—O6	1.258 (11)	C75—C76	1.490 (11)
C24—C25	1.344 (12)	C76—C82	1.389 (11)
C24—N7	1.373 (12)	C76—C77	1.403 (12)
C24—H13	0.9300	C77—C78	1.373 (13)
C25—N8	1.338 (13)	C77—H83	0.9300
C25—H12	0.9300	C78—C79	1.399 (12)
C26—N8	1.316 (11)	C78—H82	0.9300
C26—N7	1.343 (11)	C79—C80	1.385 (12)
C26—H14	0.9300	C79—C81	1.515 (12)
C27—N8	1.460 (11)	C80—C82	1.401 (12)
C27—C28	1.533 (13)	C80—H80	0.9300
C27—H11A	0.9700	C81—O12	1.234 (11)
C27—H11B	0.9700	C81—O11	1.286 (11)
C28—C29	1.385 (12)	C82—H79	0.9300
C28—C33	1.392 (13)	C83—C86	1.399 (13)
C29—C30	1.352 (15)	C83—C84	1.400 (11)
C29—H10	0.9300	C84—C85	1.386 (12)
C30—C31	1.368 (16)	C84—H74	0.9300
C30—H5	0.9300	C85—C88	1.403 (12)
C31—C32	1.367 (13)	C85—H75	0.9300
C31—H6	0.9300	C86—C87	1.394 (14)
C32—C33	1.400 (13)	C86—H76	0.9300
C32—C34	1.523 (13)	C87—C88	1.363 (13)
C33—H9	0.9300	C87—H1'	0.9300
C34—N19	1.461 (13)	C88—C89	1.487 (12)
C34—H4A	0.9700	C89—O10	1.247 (11)
C34—H4B	0.9700	C89—O9	1.270 (10)
C35—N20	1.300 (13)	C93—H93	0.9300
C35—N19	1.341 (12)	C95—O20	1.276 (19)
C35—H2	0.9300	C95—N21	1.41 (2)
C36—C37	1.351 (13)	C95—H95	0.9300
C36—N19	1.352 (12)	C96—N21	1.36 (2)
C36—H3	0.9300	C96—H96A	0.9600
C37—N20	1.360 (11)	C96—H96B	0.9600
C37—H1	0.9300	C96—H96C	0.9600
C38—N6	1.369 (11)	C97—N21	1.44 (2)
C38—C40	1.370 (14)	C97—H97A	0.9600
C38—H16	0.9300	C97—H97B	0.9600
C39—N6	1.305 (11)	C97—H97C	0.9600
C39—N5	1.328 (12)	C98—O21	1.21 (3)
C39—H18	0.9300	C98—N23	1.40 (3)
C40—N5	1.364 (12)	C98—H98	0.9300
C40—H17	0.9300	C99—N23	1.46 (3)
C41—C44	1.497 (13)	C99—H99A	0.9600
C41—N5	1.508 (12)	C99—H99B	0.9600
C41—H19A	0.9700	C99—H99C	0.9600
C41—H19B	0.9700	C100—N23	1.42 (2)
C42—C45	1.385 (15)	C100—H10A	0.9600
C42—C44	1.423 (14)	C100—H10B	0.9600
C42—H21	0.9300	C100—H10C	0.9600
C43—C44	1.365 (13)	C102—N22	1.44 (2)
C43—C47	1.385 (13)	C102—H10D	0.9600
C43—H25	0.9300	C102—H10E	0.9600
C45—C46	1.395 (16)	C102—H10F	0.9600
C45—H22	0.9300	C103—N22	1.44 (2)
C46—C47	1.399 (14)	C103—H10G	0.9600
C46—H23	0.9300	C103—H10H	0.9600
C47—C48	1.500 (14)	C103—H10I	0.9600
C48—N4	1.454 (12)	O1W—H1WA	0.88 (3)
C48—H27A	0.9700	O1W—H1WB	0.86 (3)
C48—H27B	0.9700	O2W—H2WA	0.85 (3)
C49—C50	1.324 (16)	O2W—H2WB	0.85 (3)
C49—N4	1.360 (15)	O3W—O3W'	0.91 (3)
O7—Zn1—O9^i	95.3 (2)	C56—C57—C55	120.2 (8)
O7—Zn1—N3	111.7 (3)	C61—C57—C55	120.5 (8)
O9^i—Zn1—N3	103.5 (3)	C59—C58—C56	120.0 (10)
O7—Zn1—N1	107.2 (3)	C59—C58—H40	120.0
O9^i—Zn1—N1	117.3 (3)	C56—C58—H40	120.0
N3—Zn1—N1	119.3 (3)	C58—C59—C60	121.0 (10)
O1^i—Zn2—O6	108.0 (3)	C58—C59—H39	119.5
O1^i—Zn2—N7	123.1 (3)	C60—C59—H39	119.5
O6—Zn2—N7	94.7 (3)	C61—C60—C59	118.9 (8)
O1^i—Zn2—N6	111.7 (3)	C61—C60—C62	121.3 (8)
O6—Zn2—N6	117.8 (3)	C59—C60—C62	119.7 (8)
N7—Zn2—N6	101.1 (3)	C60—C61—C57	120.8 (8)
O11—Zn3—O3^ii	110.0 (3)	C60—C61—H35	119.6
O11—Zn3—N12^iii	117.9 (3)	C57—C61—H35	119.6
O3^ii—Zn3—N12^iii	105.7 (3)	N11—C62—C60	114.3 (7)
O11—Zn3—N20^iv	95.8 (3)	N11—C62—H41A	108.7
O3^ii—Zn3—N20^iv	116.2 (3)	C60—C62—H41A	108.7
N12^iii—Zn3—N20^iv	111.5 (3)	N11—C62—H41B	108.7
O4—C1—O3	124.3 (8)	C60—C62—H41B	108.7
O4—C1—C2	119.6 (8)	H41A—C62—H41B	107.6
O3—C1—C2	116.1 (7)	N11—C63—N12	110.9 (7)
C7—C2—C3	119.5 (8)	N11—C63—H44	124.5
C7—C2—C1	119.5 (8)	N12—C63—H44	124.5
C3—C2—C1	120.9 (7)	C65—C64—N12	108.4 (8)
C4—C3—C2	119.8 (8)	C65—C64—H43	125.8
C4—C3—H62	120.1	N12—C64—H43	125.8
C2—C3—H62	120.1	C64—C65—N11	107.8 (8)
C3—C4—C5	121.3 (8)	C64—C65—H42	126.1
C3—C4—H63	119.3	N11—C65—H42	126.1
C5—C4—H63	119.3	O8—C66—O7	122.5 (7)
C4—C5—C6	119.4 (8)	O8—C66—C67	120.4 (8)
C4—C5—C8	120.9 (7)	O7—C66—C67	117.1 (8)
C6—C5—C8	119.7 (7)	C72—C67—C68	118.8 (7)
C5—C6—C7	119.7 (8)	C72—C67—C66	118.9 (8)
C5—C6—H58	120.2	C68—C67—C66	122.2 (8)
C7—C6—H58	120.2	C69—C68—C67	120.1 (8)
C2—C7—C6	120.3 (8)	C69—C68—H70	119.9
C2—C7—H59	119.9	C67—C68—H70	119.9
C6—C7—H59	119.9	C68—C69—C70	121.9 (9)
N13—C8—N15	124.8 (7)	C68—C69—H67	119.1
N13—C8—C5	115.9 (7)	C70—C69—H67	119.1
N15—C8—C5	119.3 (7)	C69—C70—C71	118.8 (8)
N14—C9—N15	125.0 (7)	C69—C70—C73	122.6 (8)
N14—C9—C10	118.5 (7)	C71—C70—C73	118.6 (8)
N15—C9—C10	116.5 (7)	C72—C71—C70	119.7 (9)
C16—C10—C11	116.9 (7)	C72—C71—H68	120.2
C16—C10—C9	121.5 (7)	C70—C71—H68	120.2
C11—C10—C9	121.6 (7)	C71—C72—C67	120.7 (8)
C12—C11—C10	121.4 (8)	C71—C72—H66	119.7
C12—C11—H5'	119.3	C67—C72—H66	119.7
C10—C11—H5'	119.3	N16—C73—N17	124.0 (7)
N22—C012—O22	143 (2)	N16—C73—C70	116.4 (7)
N22—C012—H012	108.4	N17—C73—C70	119.6 (7)
O22—C012—H012	108.4	N16—C74—N18	124.0 (8)
C11—C12—C13	120.4 (8)	N16—C74—C83	116.2 (7)
C11—C12—H87'	119.8	N18—C74—C83	119.8 (7)
C13—C12—H87'	119.8	N17—C75—N18	126.0 (7)
C14—C13—C12	118.4 (7)	N17—C75—C76	117.4 (7)
C14—C13—C15	120.8 (7)	N18—C75—C76	116.6 (6)
C12—C13—C15	120.5 (7)	C82—C76—C77	118.1 (8)
C16—C14—C13	121.1 (8)	C82—C76—C75	120.8 (7)
C16—C14—H86'	119.5	C77—C76—C75	121.0 (7)
C13—C14—H86'	119.5	C78—C77—C76	120.9 (8)
O2—C15—O1	124.1 (7)	C78—C77—H83	119.5
O2—C15—C13	120.6 (8)	C76—C77—H83	119.5
O1—C15—C13	115.3 (7)	C77—C78—C79	121.4 (8)
C14—C16—C10	121.7 (8)	C77—C78—H82	119.3
C14—C16—H55	119.1	C79—C78—H82	119.3
C10—C16—H55	119.1	C80—C79—C78	117.9 (8)
N13—C17—N14	124.6 (7)	C80—C79—C81	120.9 (8)
N13—C17—C19	117.2 (7)	C78—C79—C81	121.1 (8)
N14—C17—C19	118.1 (7)	C79—C80—C82	121.0 (8)
C93—C18—C19	120.8 (8)	C79—C80—H80	119.5
C93—C18—H48	119.6	C82—C80—H80	119.5
C19—C18—H48	119.6	O12—C81—O11	126.0 (9)
C18—C19—C20	120.1 (8)	O12—C81—C79	119.8 (9)
C18—C19—C17	120.5 (7)	O11—C81—C79	114.2 (8)
C20—C19—C17	119.4 (7)	C76—C82—C80	120.6 (8)
C21—C20—C19	118.2 (7)	C76—C82—H79	119.7
C21—C20—H49	120.9	C80—C82—H79	119.7
C19—C20—H49	120.9	C86—C83—C84	118.2 (8)
C22—C21—C20	121.0 (8)	C86—C83—C74	118.6 (7)
C22—C21—H47	119.5	C84—C83—C74	122.9 (7)
C20—C21—H47	119.5	C85—C84—C83	120.2 (8)
C21—C22—C93	119.7 (7)	C85—C84—H74	119.9
C21—C22—C23	119.2 (7)	C83—C84—H74	119.9
C93—C22—C23	121.0 (7)	C84—C85—C88	121.1 (8)
O5—C23—O6	124.1 (8)	C84—C85—H75	119.5
O5—C23—C22	118.0 (8)	C88—C85—H75	119.5
O6—C23—C22	118.0 (7)	C87—C86—C83	120.7 (9)
C25—C24—N7	109.0 (9)	C87—C86—H76	119.7
C25—C24—H13	125.5	C83—C86—H76	119.7
N7—C24—H13	125.5	C88—C87—C86	121.2 (10)
N8—C25—C24	107.7 (8)	C88—C87—H1'	119.4
N8—C25—H12	126.1	C86—C87—H1'	119.4
C24—C25—H12	126.1	C87—C88—C85	118.6 (9)
N8—C26—N7	111.5 (9)	C87—C88—C89	118.5 (8)
N8—C26—H14	124.2	C85—C88—C89	122.4 (8)
N7—C26—H14	124.2	O10—C89—O9	122.7 (8)
N8—C27—C28	110.5 (8)	O10—C89—C88	118.3 (8)
N8—C27—H11A	109.6	O9—C89—C88	119.0 (8)
C28—C27—H11A	109.6	C18—C93—C22	120.1 (7)
N8—C27—H11B	109.6	C18—C93—H93	119.9
C28—C27—H11B	109.6	C22—C93—H93	119.9
H11A—C27—H11B	108.1	O20—C95—N21	126.1 (14)
C29—C28—C33	121.1 (9)	O20—C95—H95	116.9
C29—C28—C27	119.4 (8)	N21—C95—H95	116.9
C33—C28—C27	119.5 (7)	N21—C96—H96A	109.5
C30—C29—C28	117.6 (9)	N21—C96—H96B	109.5
C30—C29—H10	121.2	H96A—C96—H96B	109.5
C28—C29—H10	121.2	N21—C96—H96C	109.5
C29—C30—C31	123.4 (9)	H96A—C96—H96C	109.5
C29—C30—H5	118.3	H96B—C96—H96C	109.5
C31—C30—H5	118.3	N21—C97—H97A	109.5
C32—C31—C30	119.3 (10)	N21—C97—H97B	109.5
C32—C31—H6	120.3	H97A—C97—H97B	109.5
C30—C31—H6	120.3	N21—C97—H97C	109.5
C31—C32—C33	119.6 (9)	H97A—C97—H97C	109.5
C31—C32—C34	121.5 (9)	H97B—C97—H97C	109.5
C33—C32—C34	118.9 (8)	O21—C98—N23	121 (2)
C28—C33—C32	119.0 (8)	O21—C98—H98	119.4
C28—C33—H9	120.5	N23—C98—H98	119.4
C32—C33—H9	120.5	N23—C99—H99A	109.5
N19—C34—C32	114.2 (8)	N23—C99—H99B	109.5
N19—C34—H4A	108.7	H99A—C99—H99B	109.5
C32—C34—H4A	108.7	N23—C99—H99C	109.5
N19—C34—H4B	108.7	H99A—C99—H99C	109.5
C32—C34—H4B	108.7	H99B—C99—H99C	109.5
H4A—C34—H4B	107.6	N23—C100—H10A	109.5
N20—C35—N19	112.7 (9)	N23—C100—H10B	109.5
N20—C35—H2	123.7	H10A—C100—H10B	109.5
N19—C35—H2	123.7	N23—C100—H10C	109.5
C37—C36—N19	106.5 (9)	H10A—C100—H10C	109.5
C37—C36—H3	126.7	H10B—C100—H10C	109.5
N19—C36—H3	126.7	N22—C102—H10D	109.5
C36—C37—N20	109.9 (8)	N22—C102—H10E	109.5
C36—C37—H1	125.0	H10D—C102—H10E	109.5
N20—C37—H1	125.0	N22—C102—H10F	109.5
N6—C38—C40	108.5 (8)	H10D—C102—H10F	109.5
N6—C38—H16	125.8	H10E—C102—H10F	109.5
C40—C38—H16	125.8	N22—C103—H10G	109.5
N6—C39—N5	111.7 (8)	N22—C103—H10H	109.5
N6—C39—H18	124.1	H10G—C103—H10H	109.5
N5—C39—H18	124.1	N22—C103—H10I	109.5
N5—C40—C38	106.0 (8)	H10G—C103—H10I	109.5
N5—C40—H17	127.0	H10H—C103—H10I	109.5
C38—C40—H17	127.0	C52—N1—C53	106.6 (7)
C44—C41—N5	108.6 (7)	C52—N1—Zn1	125.2 (6)
C44—C41—H19A	110.0	C53—N1—Zn1	127.8 (6)
N5—C41—H19A	110.0	C52—N2—C54	106.6 (7)
C44—C41—H19B	110.0	C52—N2—C55	127.4 (7)
N5—C41—H19B	110.0	C54—N2—C55	125.9 (7)
H19A—C41—H19B	108.4	C51—N3—C50	105.7 (8)
C45—C42—C44	119.4 (10)	C51—N3—Zn1	118.7 (6)
C45—C42—H21	120.3	C50—N3—Zn1	133.3 (7)
C44—C42—H21	120.3	C51—N4—C49	104.8 (8)
C44—C43—C47	122.2 (9)	C51—N4—C48	125.1 (8)
C44—C43—H25	118.9	C49—N4—C48	130.0 (9)
C47—C43—H25	118.9	C39—N5—C40	107.5 (8)
C43—C44—C42	119.1 (9)	C39—N5—C41	126.2 (7)
C43—C44—C41	120.9 (9)	C40—N5—C41	126.1 (8)
C42—C44—C41	120.0 (9)	C39—N6—C38	106.3 (7)
C42—C45—C46	120.4 (10)	C39—N6—Zn2	129.9 (6)
C42—C45—H22	119.8	C38—N6—Zn2	123.7 (6)
C46—C45—H22	119.8	C26—N7—C24	104.3 (7)
C45—C46—C47	120.1 (9)	C26—N7—Zn2	122.4 (6)
C45—C46—H23	119.9	C24—N7—Zn2	132.6 (6)
C47—C46—H23	119.9	C26—N8—C25	107.5 (7)
C43—C47—C46	118.8 (9)	C26—N8—C27	125.0 (9)
C43—C47—C48	121.0 (9)	C25—N8—C27	127.4 (8)
C46—C47—C48	120.2 (9)	C63—N11—C65	106.8 (7)
N4—C48—C47	110.2 (7)	C63—N11—C62	126.1 (7)
N4—C48—H27A	109.6	C65—N11—C62	127.1 (7)
C47—C48—H27A	109.6	C63—N12—C64	106.2 (7)
N4—C48—H27B	109.6	C63—N12—Zn3^v	123.7 (6)
C47—C48—H27B	109.6	C64—N12—Zn3^v	129.6 (6)
H27A—C48—H27B	108.1	C8—N13—C17	115.6 (7)
C50—C49—N4	110.0 (9)	C9—N14—C17	114.8 (7)
C50—C49—H31	125.0	C9—N15—C8	115.2 (7)
N4—C49—H31	125.0	C73—N16—C74	117.0 (7)
C49—C50—N3	107.2 (9)	C75—N17—C73	114.9 (7)
C49—C50—H30	126.4	C74—N18—C75	114.1 (6)
N3—C50—H30	126.4	C35—N19—C36	106.1 (8)
N3—C51—N4	112.2 (8)	C35—N19—C34	126.5 (8)
N3—C51—H28	123.9	C36—N19—C34	127.4 (8)
N4—C51—H28	123.9	C35—N20—C37	104.8 (8)
N1—C52—N2	111.2 (7)	C35—N20—Zn3^vi	131.0 (6)
N1—C52—H33	124.4	C37—N20—Zn3^vi	124.2 (6)
N2—C52—H33	124.4	C96—N21—C95	119.9 (15)
C54—C53—N1	109.0 (7)	C96—N21—C97	119.3 (16)
C54—C53—H87	125.5	C95—N21—C97	120.8 (13)
N1—C53—H87	125.5	C012—N22—C103	125 (2)
C53—C54—N2	106.5 (7)	C012—N22—C102	120 (2)
C53—C54—H32	126.7	C103—N22—C102	114.4 (19)
N2—C54—H32	126.7	C98—N23—C100	125.5 (18)
N2—C55—C57	110.6 (7)	C98—N23—C99	113 (2)
N2—C55—H34A	109.5	C100—N23—C99	121 (2)
C57—C55—H34A	109.5	C15—O1—Zn2^vii	111.7 (5)
N2—C55—H34B	109.5	C1—O3—Zn3^viii	112.3 (5)
C57—C55—H34B	109.5	C23—O6—Zn2	116.2 (5)
H34A—C55—H34B	108.1	C66—O7—Zn1	112.2 (5)
C58—C56—C57	120.1 (9)	C89—O9—Zn1^vii	107.4 (6)
C58—C56—H36	120.0	C81—O11—Zn3	127.9 (6)
C57—C56—H36	120.0	H1WA—O1W—H1WB	102 (4)
C56—C57—C61	119.1 (8)	H2WA—O2W—H2WB	107 (4)
O4—C1—C2—C7	−26.3 (12)	C78—C79—C81—O12	6.3 (13)
O3—C1—C2—C7	153.3 (8)	C80—C79—C81—O11	8.4 (12)
O4—C1—C2—C3	156.4 (9)	C78—C79—C81—O11	−173.3 (8)
O3—C1—C2—C3	−24.0 (12)	C77—C76—C82—C80	−0.8 (13)
C7—C2—C3—C4	−0.1 (13)	C75—C76—C82—C80	179.8 (8)
C1—C2—C3—C4	177.2 (8)	C79—C80—C82—C76	2.1 (14)
C2—C3—C4—C5	−2.5 (14)	N16—C74—C83—C86	−11.0 (15)
C3—C4—C5—C6	2.8 (14)	N18—C74—C83—C86	169.0 (11)
C3—C4—C5—C8	−177.8 (8)	N16—C74—C83—C84	175.5 (9)
C4—C5—C6—C7	−0.3 (14)	N18—C74—C83—C84	−4.5 (14)
C8—C5—C6—C7	−179.8 (8)	C86—C83—C84—C85	−0.5 (16)
C3—C2—C7—C6	2.5 (14)	C74—C83—C84—C85	173.0 (9)
C1—C2—C7—C6	−174.8 (8)	C83—C84—C85—C88	0.6 (15)
C5—C6—C7—C2	−2.3 (14)	C84—C83—C86—C87	0 (2)
C4—C5—C8—N13	−8.0 (12)	C74—C83—C86—C87	−174.0 (13)
C6—C5—C8—N13	171.5 (8)	C83—C86—C87—C88	1 (2)
C4—C5—C8—N15	170.5 (8)	C86—C87—C88—C85	−1 (2)
C6—C5—C8—N15	−10.1 (13)	C86—C87—C88—C89	171.7 (13)
N14—C9—C10—C16	−178.8 (9)	C84—C85—C88—C87	0.0 (16)
N15—C9—C10—C16	2.5 (13)	C84—C85—C88—C89	−172.1 (9)
N14—C9—C10—C11	1.3 (13)	C87—C88—C89—O10	5.2 (15)
N15—C9—C10—C11	−177.5 (8)	C85—C88—C89—O10	177.4 (9)
C16—C10—C11—C12	−1.7 (14)	C87—C88—C89—O9	−173.0 (10)
C9—C10—C11—C12	178.2 (8)	C85—C88—C89—O9	−0.8 (14)
C10—C11—C12—C13	−0.3 (14)	C19—C18—C93—C22	3.1 (15)
C11—C12—C13—C14	0.4 (13)	C21—C22—C93—C18	−1.2 (15)
C11—C12—C13—C15	−173.4 (8)	C23—C22—C93—C18	−178.2 (9)
C12—C13—C14—C16	1.6 (14)	N2—C52—N1—C53	−0.1 (10)
C15—C13—C14—C16	175.4 (9)	N2—C52—N1—Zn1	−173.1 (5)
C14—C13—C15—O2	−175.9 (8)	C54—C53—N1—C52	0.2 (10)
C12—C13—C15—O2	−2.3 (12)	C54—C53—N1—Zn1	173.1 (6)
C14—C13—C15—O1	1.9 (12)	N1—C52—N2—C54	−0.2 (10)
C12—C13—C15—O1	175.6 (8)	N1—C52—N2—C55	−178.0 (8)
C13—C14—C16—C10	−3.8 (15)	C53—C54—N2—C52	0.3 (10)
C11—C10—C16—C14	3.7 (14)	C53—C54—N2—C55	178.2 (8)
C9—C10—C16—C14	−176.2 (9)	C57—C55—N2—C52	75.3 (11)
C93—C18—C19—C20	−3.6 (15)	C57—C55—N2—C54	−102.2 (10)
C93—C18—C19—C17	178.1 (9)	N4—C51—N3—C50	−2.3 (11)
N13—C17—C19—C18	16.3 (14)	N4—C51—N3—Zn1	162.6 (6)
N14—C17—C19—C18	−161.1 (9)	C49—C50—N3—C51	1.0 (11)
N13—C17—C19—C20	−162.0 (9)	C49—C50—N3—Zn1	−160.7 (8)
N14—C17—C19—C20	20.7 (14)	N3—C51—N4—C49	2.6 (11)
C18—C19—C20—C21	2.2 (16)	N3—C51—N4—C48	−175.0 (8)
C17—C19—C20—C21	−179.5 (10)	C50—C49—N4—C51	−1.8 (12)
C19—C20—C21—C22	−0.3 (17)	C50—C49—N4—C48	175.5 (10)
C20—C21—C22—C93	−0.2 (16)	C47—C48—N4—C51	41.5 (13)
C20—C21—C22—C23	176.9 (10)	C47—C48—N4—C49	−135.4 (11)
C21—C22—C23—O5	−145.2 (10)	N6—C39—N5—C40	−0.4 (10)
C93—C22—C23—O5	31.8 (13)	N6—C39—N5—C41	−176.0 (7)
C21—C22—C23—O6	35.1 (13)	C38—C40—N5—C39	1.4 (10)
C93—C22—C23—O6	−147.9 (9)	C38—C40—N5—C41	177.0 (8)
N7—C24—C25—N8	0.6 (12)	C44—C41—N5—C39	−40.1 (11)
N8—C27—C28—C29	−125.4 (10)	C44—C41—N5—C40	145.1 (9)
N8—C27—C28—C33	52.4 (14)	N5—C39—N6—C38	−0.7 (10)
C33—C28—C29—C30	−0.5 (15)	N5—C39—N6—Zn2	177.2 (6)
C27—C28—C29—C30	177.3 (11)	C40—C38—N6—C39	1.6 (10)
C28—C29—C30—C31	−2.1 (19)	C40—C38—N6—Zn2	−176.5 (6)
C29—C30—C31—C32	3.8 (19)	N8—C26—N7—C24	1.9 (11)
C30—C31—C32—C33	−2.6 (16)	N8—C26—N7—Zn2	−169.5 (6)
C30—C31—C32—C34	−179.2 (10)	C25—C24—N7—C26	−1.5 (11)
C29—C28—C33—C32	1.5 (15)	C25—C24—N7—Zn2	168.7 (7)
C27—C28—C33—C32	−176.3 (9)	N7—C26—N8—C25	−1.6 (11)
C31—C32—C33—C28	0.1 (14)	N7—C26—N8—C27	178.5 (9)
C34—C32—C33—C28	176.8 (9)	C24—C25—N8—C26	0.6 (12)
C31—C32—C34—N19	110.1 (11)	C24—C25—N8—C27	−179.5 (9)
C33—C32—C34—N19	−66.6 (12)	C28—C27—N8—C26	−133.9 (10)
N19—C36—C37—N20	−0.6 (12)	C28—C27—N8—C25	46.3 (15)
N6—C38—C40—N5	−1.8 (11)	N12—C63—N11—C65	0.9 (10)
C47—C43—C44—C42	0.5 (14)	N12—C63—N11—C62	180.0 (7)
C47—C43—C44—C41	−177.6 (8)	C64—C65—N11—C63	−0.6 (10)
C45—C42—C44—C43	−1.4 (14)	C64—C65—N11—C62	−179.7 (8)
C45—C42—C44—C41	176.6 (9)	C60—C62—N11—C63	−101.9 (10)
N5—C41—C44—C43	101.5 (10)	C60—C62—N11—C65	77.0 (11)
N5—C41—C44—C42	−76.5 (10)	N11—C63—N12—C64	−0.8 (10)
C44—C42—C45—C46	1.3 (16)	N11—C63—N12—Zn3^v	171.7 (6)
C42—C45—C46—C47	−0.2 (16)	C65—C64—N12—C63	0.4 (10)
C44—C43—C47—C46	0.7 (14)	C65—C64—N12—Zn3^v	−171.6 (6)
C44—C43—C47—C48	−179.7 (9)	N15—C8—N13—C17	0.0 (13)
C45—C46—C47—C43	−0.8 (15)	C5—C8—N13—C17	178.3 (8)
C45—C46—C47—C48	179.5 (9)	N14—C17—N13—C8	−0.1 (13)
C43—C47—C48—N4	53.3 (12)	C19—C17—N13—C8	−177.2 (8)
C46—C47—C48—N4	−127.0 (10)	N15—C9—N14—C17	0.7 (13)
N4—C49—C50—N3	0.5 (13)	C10—C9—N14—C17	−178.0 (8)
N1—C53—C54—N2	−0.3 (11)	N13—C17—N14—C9	−0.2 (13)
C58—C56—C57—C61	−2.8 (16)	C19—C17—N14—C9	176.9 (8)
C58—C56—C57—C55	−178.8 (10)	N14—C9—N15—C8	−0.8 (13)
N2—C55—C57—C56	70.0 (11)	C10—C9—N15—C8	177.9 (8)
N2—C55—C57—C61	−106.0 (9)	N13—C8—N15—C9	0.4 (13)
C57—C56—C58—C59	1.5 (19)	C5—C8—N15—C9	−177.9 (8)
C56—C58—C59—C60	−0.5 (19)	N17—C73—N16—C74	1.3 (13)
C58—C59—C60—C61	0.9 (16)	C70—C73—N16—C74	−177.6 (8)
C58—C59—C60—C62	177.7 (10)	N18—C74—N16—C73	−2.3 (13)
C59—C60—C61—C57	−2.3 (13)	C83—C74—N16—C73	177.7 (8)
C62—C60—C61—C57	−179.0 (8)	N18—C75—N17—C73	−0.7 (13)
C56—C57—C61—C60	3.2 (13)	C76—C75—N17—C73	178.7 (7)
C55—C57—C61—C60	179.2 (8)	N16—C73—N17—C75	0.1 (13)
C61—C60—C62—N11	−111.5 (9)	C70—C73—N17—C75	179.0 (8)
C59—C60—C62—N11	71.8 (11)	N16—C74—N18—C75	1.7 (13)
N12—C64—C65—N11	0.1 (10)	C83—C74—N18—C75	−178.2 (8)
O8—C66—C67—C72	12.0 (13)	N17—C75—N18—C74	−0.2 (13)
O7—C66—C67—C72	−167.4 (9)	C76—C75—N18—C74	−179.6 (8)
O8—C66—C67—C68	−168.2 (9)	N20—C35—N19—C36	0.5 (11)
O7—C66—C67—C68	12.4 (13)	N20—C35—N19—C34	−178.8 (8)
C72—C67—C68—C69	1.5 (15)	C37—C36—N19—C35	0.1 (11)
C66—C67—C68—C69	−178.3 (9)	C37—C36—N19—C34	179.4 (9)
C67—C68—C69—C70	−1.8 (16)	C32—C34—N19—C35	−87.5 (12)
C68—C69—C70—C71	2.6 (16)	C32—C34—N19—C36	93.3 (12)
C68—C69—C70—C73	−177.7 (9)	N19—C35—N20—C37	−0.8 (11)
C69—C70—C71—C72	−3.1 (16)	N19—C35—N20—Zn3^vi	177.5 (6)
C73—C70—C71—C72	177.1 (9)	C36—C37—N20—C35	0.9 (11)
C70—C71—C72—C67	3.0 (17)	C36—C37—N20—Zn3^vi	−177.6 (7)
C68—C67—C72—C71	−2.1 (15)	O20—C95—N21—C96	0 (3)
C66—C67—C72—C71	177.7 (9)	O20—C95—N21—C97	−177.5 (14)
C69—C70—C73—N16	176.9 (9)	O22—C012—N22—C103	28 (8)
C71—C70—C73—N16	−3.4 (13)	O22—C012—N22—C102	−163 (3)
C69—C70—C73—N17	−2.1 (14)	O21—C98—N23—C100	173 (3)
C71—C70—C73—N17	177.6 (9)	O21—C98—N23—C99	1 (5)
N17—C75—C76—C82	−168.2 (8)	O2—C15—O1—Zn2^vii	14.6 (10)
N18—C75—C76—C82	11.3 (12)	C13—C15—O1—Zn2^vii	−163.2 (5)
N17—C75—C76—C77	12.4 (13)	O4—C1—O3—Zn3^viii	8.6 (11)
N18—C75—C76—C77	−168.1 (8)	C2—C1—O3—Zn3^viii	−171.0 (6)
C82—C76—C77—C78	−1.5 (13)	O5—C23—O6—Zn2	5.8 (12)
C75—C76—C77—C78	177.9 (8)	C22—C23—O6—Zn2	−174.5 (6)
C76—C77—C78—C79	2.5 (14)	O8—C66—O7—Zn1	−13.6 (11)
C77—C78—C79—C80	−1.2 (14)	C67—C66—O7—Zn1	165.8 (6)
C77—C78—C79—C81	−179.6 (8)	O10—C89—O9—Zn1^vii	−4.3 (10)
C78—C79—C80—C82	−1.0 (14)	C88—C89—O9—Zn1^vii	173.8 (6)
C81—C79—C80—C82	177.3 (8)	O12—C81—O11—Zn3	18.0 (13)
C80—C79—C81—O12	−172.0 (9)	C79—C81—O11—Zn3	−162.4 (6)

Symmetry codes: (i) x+1, y, z; (ii) x, −y, z+1/2; (iii) x, −y+3, z+1/2; (iv) x−1, y+1, z; (v) x, −y+3, z−1/2; (vi) x+1, y−1, z; (vii) x−1, y, z; (viii) x, −y, z−1/2.