Poly­[[bis(4,4′-bi­pyridine)­bis(μ-oxalato)­trizinc(II)]-di-μ-4,4′-bi­pyridine-μ-oxalato]

Nordell, K.J.; Higgins, K.A.; Smith, M.D.

doi:10.1107/S1600536803003532

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Poly[[bis(4,4′-bipyridine)bis(μ-oxalato)trizinc(II)]-di-μ-4,4′-bipyridine-μ-oxalato]

K. J. Nordell, K. A. Higgins and M. D. Smith

The hydrothermally prepared title compound, [Zn₃(C₁₀H₈N₂)₄(C₂O₄)₃], isostructural with the Fe analog, consists of undulating chains of oxalate-bridged Zn centers linked into infinite two-dimensional layers by bridging 4,4′-bipyridine ligands. An additional 4,4′-bipyridine ligand is coordinated to two of the three inequivalent Zn centers as a terminal ligand.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803003532/ac6030sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803003532/ac6030Isup2.hkl Contains datablock I

CCDC reference: 206740

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.027
wR factor = 0.062
Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_369  Alert B Long   C(sp2)-C(sp2) Bond  C(43)  -   C(44)  =       1.57 Ang.

Author response: Slightly longer than normal C-C bonds are typical of the oxalato anion.

PLAT_369  Alert B Long   C(sp2)-C(sp2) Bond  C(45)  -   C(46)  =       1.57 Ang.

Author response: Slightly longer than normal C-C bonds are typical of the oxalato anion.


 Alert Level C:



PLAT_369  Alert C Long   C(sp2)-C(sp2) Bond  C(41)  -   C(42)  =       1.56 Ang.

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced
          by the scaled T values. Since the ratio of scaled T's is
          identical to the ratio of reported T values, the scaling does
          not imply a change to the absorption corrections used in the
          study.
          Ratio of Tmax expected/reported      1.131
          Tmax scaled      0.672 Tmin scaled      0.470


 0 Alert Level A = Potentially serious problem

 2 Alert Level B = Potential problem

 1 Alert Level C = Please check

Computing details top

Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-Plus-NT (Bruker, 1999); data reduction: SAINT-Plus-NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Poly[[bis(4,4'-bipyridine)bis(µ-oxalato)trizinc(II)]]-di-µ-4,4'- bipyridine-µ₂-oxalato] top

Crystal data top

[Zn₃(C₁₀H₈N₂)₄(C₂O₄)₃]	F(000) = 2200
M_r = 1084.91	D_x = 1.741 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 16.2513 (9) Å	Cell parameters from 9955 reflections
b = 15.5891 (9) Å	θ = 2.6–26.4°
c = 16.376 (1) Å	µ = 1.81 mm⁻¹
β = 94.000 (1)°	T = 293 K
V = 4138.6 (4) Å³	Bar, yellow
Z = 4	0.42 × 0.40 × 0.22 mm

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	8443 independent reflections
Radiation source: sealed tube	6454 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.034
ω scans	θ_max = 26.4°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −14→20
T_min = 0.415, T_max = 0.594	k = −18→19
32100 measured reflections	l = −20→20

Refinement top

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.062	H-atom parameters constrained
S = 1.03	w = 1/[σ²(F_o²) + (0.0256P)²] where P = (F_o² + 2F_c²)/3
8443 reflections	(Δ/σ)_max = 0.002
622 parameters	Δρ_max = 0.47 e Å⁻³
0 restraints	Δρ_min = −0.37 e Å⁻³

Special details top

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. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

1.4816 (0.0154) x + 15.5116 (0.0018) y + 0.5504 (0.0151) z = 4.3332 (0.0084)

* -0.0042 (0.0015) N1 * 0.0012 (0.0016) C1 * 0.0014 (0.0016) C2 * -0.0011 (0.0016) C3 * -0.0018 (0.0017) C4 * 0.0046 (0.0017) C5

Rms deviation of fitted atoms = 0.0028

- 3.6690 (0.0139) x + 14.3989 (0.0059) y - 4.8008 (0.0136) z = 0.1375 (0.0095)

Angle to previous plane (with approximate e.s.d.) = 27.62 (0.05)

* 0.0010 (0.0014) N2 * -0.0030 (0.0015) C6 * 0.0017 (0.0015) C7 * 0.0014 (0.0015) C8 * -0.0034 (0.0015) C9 * 0.0023 (0.0015) C10

Rms deviation of fitted atoms = 0.0023

5.2006 (0.0137) x + 14.7100 (0.0049) y + 1.0205 (0.0144) z = 9.5968 (0.0058)

Angle to previous plane (with approximate e.s.d.) = 39.37 (0.05)

* 0.0166 (0.0014) N3 * -0.0100 (0.0015) C11 * -0.0089 (0.0016) C12 * 0.0209 (0.0016) C13 * -0.0145 (0.0016) C14 * -0.0041 (0.0015) C15

Rms deviation of fitted atoms = 0.0136

- 2.2323 (0.0144) x + 14.3462 (0.0059) y - 5.8282 (0.0135) z = 4.1450 (0.0108)

Angle to previous plane (with approximate e.s.d.) = 37.50 (0.05)

* -0.0126 (0.0014) N4 * 0.0118 (0.0015) C16 * 0.0004 (0.0015) C17 * -0.0114 (0.0015) C18 * 0.0105 (0.0015) C19 * 0.0012 (0.0015) C20

Rms deviation of fitted atoms = 0.0095

4.6088 (0.0137) x + 14.9486 (0.0040) y - 0.2023 (0.0143) z = 9.8477 (0.0090)

Angle to previous plane (with approximate e.s.d.) = 32.78 (0.05)

* -0.0189 (0.0014) N5 * 0.0057 (0.0015) C21 * 0.0125 (0.0016) C22 * -0.0178 (0.0015) C23 * 0.0050 (0.0015) C24 * 0.0136 (0.0015) C25

Rms deviation of fitted atoms = 0.0134

- 2.0379 (0.0141) x + 14.2190 (0.0058) y - 6.2327 (0.0128) z = 4.7399 (0.0141)

Angle to previous plane (with approximate e.s.d.) = 33.26 (0.05)

* 0.0064 (0.0014) N6 * 0.0023 (0.0015) C26 * -0.0087 (0.0015) C27 * 0.0068 (0.0015) C28 * 0.0016 (0.0015) C29 * -0.0084 (0.0015) C30

Rms deviation of fitted atoms = 0.0063

3.9440 (0.0143) x + 15.0256 (0.0042) y + 1.5186 (0.0144) z = 14.6545 (0.0076)

Angle to previous plane (with approximate e.s.d.) = 36.31 (0.05)

* 0.0147 (0.0014) N7 * -0.0064 (0.0015) C31 * -0.0075 (0.0015) C32 * 0.0133 (0.0015) C33 * -0.0053 (0.0016) C34 * -0.0088 (0.0016) C35

Rms deviation of fitted atoms = 0.0100

- 1.9722 (0.0147) x + 14.8336 (0.0047) y - 4.4777 (0.0139) z = 10.0608 (0.0149)

Angle to previous plane (with approximate e.s.d.) = 31.06 (0.05)

* -0.0043 (0.0015) N8 * 0.0041 (0.0015) C36 * 0.0017 (0.0015) C37 * -0.0071 (0.0015) C38 * 0.0068 (0.0016) C39 * -0.0012 (0.0016) C40

Rms deviation of fitted atoms = 0.0048

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. andis not relevant to the choice of reflections for refinement. R-factorsbased on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Zn1	0.212276 (14)	0.223542 (15)	0.540413 (13)	0.02556 (7)
Zn2	0.255888 (14)	0.556875 (15)	0.492162 (13)	0.02508 (7)
Zn3	0.277022 (14)	0.894585 (15)	0.472939 (13)	0.02562 (7)
C1	0.38994 (14)	0.22574 (15)	0.46346 (13)	0.0375 (6)
H1	0.4064	0.2224	0.5189	0.045*
C2	0.44983 (13)	0.22198 (15)	0.40844 (12)	0.0373 (6)
H2	0.5050	0.2162	0.4266	0.045*
C3	0.42690 (13)	0.22697 (14)	0.32504 (12)	0.0301 (5)
C4	0.34332 (14)	0.23570 (16)	0.30266 (13)	0.0408 (6)
H4	0.3248	0.2391	0.2477	0.049*
C5	0.28830 (14)	0.23925 (16)	0.36259 (13)	0.0417 (6)
H5	0.2327	0.2459	0.3464	0.050*
C6	0.53035 (14)	0.18777 (14)	0.12985 (12)	0.0358 (5)
H6	0.5162	0.1664	0.0777	0.043*
C7	0.46970 (13)	0.19094 (14)	0.18474 (12)	0.0336 (5)
H7	0.4164	0.1725	0.1695	0.040*
C8	0.48948 (13)	0.22205 (13)	0.26295 (12)	0.0297 (5)
C9	0.57061 (13)	0.24864 (14)	0.28169 (12)	0.0351 (5)
H9	0.5869	0.2696	0.3335	0.042*
C10	0.62594 (13)	0.24326 (14)	0.22212 (13)	0.0362 (5)
H10	0.6797	0.2617	0.2352	0.043*
C11	0.41434 (13)	0.47581 (14)	0.42421 (12)	0.0342 (5)
H11	0.4280	0.4658	0.4795	0.041*
C12	0.47297 (13)	0.45895 (15)	0.36946 (12)	0.0354 (5)
H12	0.5246	0.4381	0.3879	0.043*
C13	0.45432 (13)	0.47331 (14)	0.28676 (12)	0.0297 (5)
C14	0.37499 (13)	0.50060 (14)	0.26297 (12)	0.0354 (5)
H14	0.3587	0.5081	0.2079	0.042*
C15	0.32071 (13)	0.51639 (14)	0.32223 (12)	0.0362 (5)
H15	0.2681	0.5356	0.3054	0.043*
C16	0.65365 (13)	0.46602 (14)	0.18354 (12)	0.0325 (5)
H16	0.7085	0.4812	0.1954	0.039*
C17	0.59877 (13)	0.48058 (14)	0.24234 (12)	0.0340 (5)
H17	0.6167	0.5039	0.2928	0.041*
C18	0.51600 (12)	0.45993 (14)	0.22524 (12)	0.0295 (5)
C19	0.49316 (13)	0.42671 (15)	0.14846 (12)	0.0353 (5)
H19	0.4382	0.4137	0.1339	0.042*
C20	0.55288 (13)	0.41317 (15)	0.09384 (12)	0.0350 (5)
H20	0.5367	0.3902	0.0428	0.042*
C21	0.19228 (13)	0.60883 (14)	0.66209 (12)	0.0343 (5)
H21	0.2460	0.5934	0.6794	0.041*
C22	0.13816 (13)	0.62677 (14)	0.72105 (12)	0.0341 (5)
H22	0.1556	0.6238	0.7763	0.041*
C23	0.05740 (12)	0.64931 (13)	0.69704 (12)	0.0277 (5)
C24	0.03684 (13)	0.65605 (14)	0.61352 (12)	0.0331 (5)
H24	−0.0160	0.6727	0.5944	0.040*
C25	0.09566 (13)	0.63775 (14)	0.55936 (12)	0.0319 (5)
H25	0.0810	0.6436	0.5037	0.038*
C26	−0.04330 (13)	0.71637 (14)	0.88759 (12)	0.0318 (5)
H26	−0.0276	0.7410	0.9380	0.038*
C27	0.01708 (13)	0.70085 (14)	0.83419 (12)	0.0328 (5)
H27	0.0719	0.7140	0.8492	0.039*
C28	−0.00467 (12)	0.66540 (13)	0.75795 (12)	0.0282 (5)
C29	−0.08766 (13)	0.64538 (14)	0.74024 (12)	0.0331 (5)
H29	−0.1051	0.6211	0.6901	0.040*
C30	−0.14353 (13)	0.66192 (14)	0.79786 (12)	0.0333 (5)
H30	−0.1985	0.6473	0.7854	0.040*
C31	0.19895 (13)	0.85781 (14)	0.64158 (13)	0.0359 (5)
H31	0.2528	0.8411	0.6568	0.043*
C32	0.14466 (13)	0.86588 (14)	0.70196 (12)	0.0341 (5)
H32	0.1619	0.8549	0.7563	0.041*
C33	0.06367 (13)	0.89068 (14)	0.68067 (12)	0.0306 (5)
C34	0.04187 (13)	0.90353 (15)	0.59786 (12)	0.0377 (6)
H34	−0.0119	0.9187	0.5805	0.045*
C35	0.10000 (13)	0.89366 (15)	0.54223 (12)	0.0380 (6)
H35	0.0840	0.9021	0.4872	0.046*
C36	−0.03329 (14)	0.93902 (14)	0.87765 (12)	0.0354 (5)
H36	−0.0169	0.9576	0.9302	0.042*
C37	0.02662 (14)	0.93010 (14)	0.82223 (12)	0.0338 (5)
H37	0.0816	0.9423	0.8375	0.041*
C38	0.00307 (13)	0.90262 (14)	0.74354 (12)	0.0297 (5)
C39	−0.08019 (13)	0.88669 (15)	0.72434 (12)	0.0361 (5)
H39	−0.0988	0.8694	0.6719	0.043*
C40	−0.13460 (14)	0.89710 (15)	0.78458 (13)	0.0387 (6)
H40	−0.1900	0.8855	0.7712	0.046*
C41	0.25879 (11)	0.39357 (13)	0.56133 (11)	0.0217 (4)
C42	0.18684 (12)	0.39300 (13)	0.49296 (11)	0.0228 (4)
C43	0.31635 (12)	0.72336 (13)	0.50210 (11)	0.0226 (4)
C44	0.24516 (12)	0.72363 (13)	0.43260 (11)	0.0220 (4)
C45	0.27700 (12)	1.05784 (13)	0.54514 (11)	0.0244 (4)
C46	0.20833 (12)	1.05928 (13)	0.47324 (11)	0.0246 (4)
N1	0.30966 (11)	0.23381 (11)	0.44239 (10)	0.0325 (4)
N2	0.60758 (11)	0.21336 (12)	0.14674 (10)	0.0349 (4)
N3	0.33911 (10)	0.50573 (11)	0.40233 (10)	0.0293 (4)
N4	0.63251 (10)	0.43124 (11)	0.11020 (9)	0.0278 (4)
N5	0.17217 (10)	0.61229 (11)	0.58171 (9)	0.0282 (4)
N6	−0.12292 (11)	0.69798 (11)	0.87100 (10)	0.0288 (4)
N7	0.17878 (11)	0.87251 (11)	0.56238 (10)	0.0323 (4)
N8	−0.11292 (11)	0.92261 (12)	0.86025 (10)	0.0366 (5)
O1	0.27458 (8)	0.32442 (8)	0.59861 (7)	0.0258 (3)
O2	0.15139 (8)	0.32254 (8)	0.47828 (8)	0.0261 (3)
O3	0.29694 (8)	0.46274 (9)	0.57468 (7)	0.0264 (3)
O4	0.17042 (8)	0.46186 (9)	0.45631 (8)	0.0276 (3)
O5	0.34002 (8)	0.65227 (9)	0.53076 (8)	0.0264 (3)
O6	0.21338 (8)	0.65290 (9)	0.41190 (7)	0.0255 (3)
O7	0.34491 (8)	0.79475 (8)	0.52535 (7)	0.0257 (3)
O8	0.22380 (8)	0.79515 (8)	0.40295 (7)	0.0260 (3)
O9	0.31780 (8)	0.99028 (9)	0.55560 (8)	0.0297 (3)
O10	0.20075 (8)	0.99439 (9)	0.42843 (8)	0.0291 (3)
O11	0.28663 (8)	1.12423 (9)	0.58783 (8)	0.0279 (3)
O12	0.16451 (8)	1.12527 (9)	0.46592 (8)	0.0300 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.02612 (14)	0.02083 (14)	0.02965 (12)	0.00005 (10)	0.00133 (10)	0.00079 (10)
Zn2	0.02633 (14)	0.02078 (13)	0.02820 (12)	−0.00085 (10)	0.00231 (10)	0.00079 (10)
Zn3	0.02671 (14)	0.02133 (14)	0.02895 (12)	0.00037 (10)	0.00289 (10)	−0.00026 (10)
C1	0.0320 (13)	0.0521 (16)	0.0285 (11)	−0.0021 (11)	0.0017 (10)	0.0030 (10)
C2	0.0239 (12)	0.0536 (16)	0.0342 (11)	0.0004 (11)	0.0011 (10)	0.0064 (11)
C3	0.0278 (12)	0.0323 (13)	0.0306 (11)	−0.0010 (10)	0.0037 (9)	0.0013 (9)
C4	0.0290 (13)	0.0645 (18)	0.0287 (11)	0.0031 (12)	−0.0002 (10)	0.0003 (11)
C5	0.0252 (13)	0.0640 (18)	0.0357 (12)	0.0052 (11)	0.0014 (10)	0.0030 (11)
C6	0.0384 (14)	0.0381 (14)	0.0313 (11)	0.0023 (11)	0.0053 (10)	−0.0007 (10)
C7	0.0280 (12)	0.0369 (14)	0.0357 (11)	−0.0031 (10)	0.0021 (10)	0.0005 (10)
C8	0.0255 (12)	0.0325 (13)	0.0314 (11)	0.0028 (10)	0.0045 (9)	0.0051 (9)
C9	0.0305 (13)	0.0459 (15)	0.0287 (11)	−0.0007 (11)	0.0010 (10)	0.0027 (10)
C10	0.0241 (12)	0.0443 (15)	0.0404 (12)	0.0000 (10)	0.0042 (10)	0.0078 (10)
C11	0.0310 (13)	0.0427 (15)	0.0286 (11)	0.0042 (11)	0.0006 (9)	0.0009 (10)
C12	0.0262 (12)	0.0458 (15)	0.0342 (11)	0.0060 (10)	0.0010 (10)	−0.0011 (10)
C13	0.0277 (12)	0.0293 (13)	0.0323 (11)	0.0012 (9)	0.0036 (9)	−0.0041 (9)
C14	0.0336 (13)	0.0472 (15)	0.0251 (10)	0.0076 (11)	0.0007 (10)	−0.0030 (10)
C15	0.0270 (13)	0.0465 (15)	0.0347 (12)	0.0080 (11)	−0.0003 (10)	−0.0041 (10)
C16	0.0241 (12)	0.0379 (14)	0.0355 (11)	−0.0018 (10)	0.0011 (9)	−0.0037 (10)
C17	0.0320 (13)	0.0412 (14)	0.0286 (11)	0.0017 (10)	0.0002 (9)	−0.0065 (10)
C18	0.0268 (12)	0.0307 (13)	0.0313 (11)	0.0040 (9)	0.0040 (9)	−0.0001 (9)
C19	0.0243 (12)	0.0464 (15)	0.0350 (11)	0.0020 (10)	−0.0001 (9)	−0.0065 (10)
C20	0.0304 (13)	0.0451 (15)	0.0294 (11)	0.0028 (11)	0.0009 (10)	−0.0088 (10)
C21	0.0244 (12)	0.0440 (15)	0.0344 (11)	0.0066 (10)	0.0006 (10)	−0.0041 (10)
C22	0.0299 (13)	0.0459 (15)	0.0262 (10)	0.0053 (10)	−0.0001 (9)	−0.0037 (10)
C23	0.0244 (12)	0.0272 (12)	0.0320 (11)	−0.0006 (9)	0.0045 (9)	−0.0031 (9)
C24	0.0237 (12)	0.0412 (14)	0.0344 (11)	0.0042 (10)	0.0009 (9)	0.0016 (10)
C25	0.0295 (13)	0.0389 (14)	0.0272 (10)	0.0010 (10)	0.0011 (9)	0.0018 (9)
C26	0.0317 (13)	0.0341 (13)	0.0297 (11)	−0.0002 (10)	0.0025 (10)	−0.0055 (9)
C27	0.0252 (12)	0.0378 (14)	0.0353 (11)	−0.0008 (10)	0.0014 (10)	−0.0039 (10)
C28	0.0259 (12)	0.0283 (12)	0.0305 (10)	0.0025 (9)	0.0029 (9)	0.0017 (9)
C29	0.0307 (13)	0.0383 (14)	0.0304 (11)	−0.0003 (10)	0.0018 (10)	−0.0059 (9)
C30	0.0242 (12)	0.0380 (14)	0.0376 (12)	−0.0017 (10)	0.0026 (10)	−0.0026 (10)
C31	0.0275 (13)	0.0397 (15)	0.0407 (12)	0.0034 (10)	0.0038 (10)	0.0051 (10)
C32	0.0317 (13)	0.0428 (14)	0.0277 (10)	0.0003 (10)	0.0021 (10)	0.0022 (10)
C33	0.0285 (12)	0.0319 (13)	0.0314 (11)	−0.0034 (10)	0.0028 (10)	−0.0001 (9)
C34	0.0244 (12)	0.0542 (16)	0.0343 (11)	0.0009 (11)	0.0014 (10)	0.0038 (11)
C35	0.0320 (13)	0.0523 (16)	0.0294 (11)	−0.0050 (11)	0.0002 (10)	0.0009 (10)
C36	0.0456 (15)	0.0323 (13)	0.0284 (11)	0.0049 (11)	0.0039 (10)	−0.0011 (9)
C37	0.0310 (13)	0.0349 (14)	0.0351 (11)	−0.0006 (10)	−0.0007 (10)	−0.0002 (10)
C38	0.0281 (12)	0.0311 (13)	0.0303 (10)	0.0014 (9)	0.0052 (9)	0.0044 (9)
C39	0.0320 (13)	0.0477 (15)	0.0284 (10)	−0.0024 (11)	0.0017 (10)	0.0005 (10)
C40	0.0277 (13)	0.0484 (16)	0.0407 (12)	−0.0009 (11)	0.0074 (10)	0.0051 (11)
C41	0.0197 (10)	0.0237 (12)	0.0223 (9)	0.0026 (9)	0.0054 (8)	−0.0001 (8)
C42	0.0207 (11)	0.0239 (12)	0.0244 (9)	0.0008 (9)	0.0065 (8)	−0.0013 (9)
C43	0.0208 (11)	0.0250 (12)	0.0227 (9)	−0.0004 (9)	0.0065 (8)	0.0005 (9)
C44	0.0192 (11)	0.0250 (12)	0.0225 (9)	0.0008 (9)	0.0055 (8)	−0.0015 (9)
C45	0.0230 (11)	0.0258 (12)	0.0244 (10)	−0.0014 (9)	0.0028 (8)	0.0016 (9)
C46	0.0223 (11)	0.0262 (12)	0.0257 (10)	−0.0018 (9)	0.0038 (8)	0.0019 (9)
N1	0.0278 (10)	0.0383 (12)	0.0314 (9)	0.0012 (8)	0.0029 (8)	0.0001 (8)
N2	0.0336 (11)	0.0371 (12)	0.0350 (10)	0.0029 (9)	0.0088 (9)	0.0036 (8)
N3	0.0280 (10)	0.0297 (11)	0.0306 (9)	0.0018 (8)	0.0052 (8)	−0.0006 (8)
N4	0.0281 (10)	0.0269 (10)	0.0289 (9)	0.0041 (8)	0.0041 (8)	−0.0017 (7)
N5	0.0265 (10)	0.0299 (11)	0.0282 (9)	0.0000 (8)	0.0030 (8)	−0.0004 (7)
N6	0.0288 (10)	0.0268 (10)	0.0313 (9)	0.0022 (8)	0.0061 (8)	−0.0006 (8)
N7	0.0300 (11)	0.0367 (11)	0.0305 (9)	−0.0010 (8)	0.0041 (8)	−0.0012 (8)
N8	0.0384 (12)	0.0370 (12)	0.0355 (10)	0.0026 (9)	0.0099 (9)	0.0022 (9)
O1	0.0267 (8)	0.0220 (8)	0.0280 (7)	0.0005 (6)	−0.0027 (6)	0.0024 (6)
O2	0.0241 (8)	0.0200 (8)	0.0335 (7)	−0.0010 (6)	−0.0033 (6)	0.0009 (6)
O3	0.0258 (8)	0.0252 (8)	0.0277 (7)	−0.0038 (6)	−0.0015 (6)	0.0003 (6)
O4	0.0266 (8)	0.0237 (8)	0.0320 (7)	−0.0001 (6)	−0.0023 (6)	0.0049 (6)
O5	0.0249 (8)	0.0220 (8)	0.0318 (7)	0.0010 (6)	−0.0019 (6)	0.0038 (6)
O6	0.0248 (8)	0.0239 (8)	0.0276 (7)	−0.0030 (6)	−0.0008 (6)	−0.0002 (6)
O7	0.0249 (8)	0.0225 (8)	0.0291 (7)	−0.0019 (6)	−0.0018 (6)	−0.0002 (6)
O8	0.0261 (8)	0.0235 (8)	0.0276 (7)	0.0014 (6)	−0.0028 (6)	0.0014 (6)
O9	0.0296 (8)	0.0253 (8)	0.0331 (7)	0.0053 (6)	−0.0056 (6)	−0.0015 (6)
O10	0.0315 (8)	0.0244 (8)	0.0305 (7)	0.0013 (6)	−0.0036 (6)	−0.0033 (6)
O11	0.0298 (8)	0.0236 (8)	0.0295 (7)	0.0016 (6)	−0.0029 (6)	−0.0023 (6)
O12	0.0282 (8)	0.0264 (8)	0.0345 (7)	0.0043 (7)	−0.0052 (6)	−0.0016 (6)

Geometric parameters (Å, º) top

Zn1—O2	2.0630 (13)	C21—C22	1.379 (2)
Zn1—O1	2.0668 (13)	C21—H21	0.9300
Zn1—O12ⁱ	2.0749 (14)	C22—C23	1.389 (3)
Zn1—O11ⁱ	2.0806 (14)	C22—H22	0.9300
Zn1—N6ⁱⁱ	2.1601 (15)	C23—C24	1.389 (3)
Zn1—N1	2.3370 (16)	C23—C28	1.489 (2)
Zn2—O3	2.0733 (13)	C24—C25	1.378 (3)
Zn2—O6	2.0782 (13)	C24—H24	0.9300
Zn2—O4	2.0866 (14)	C25—N5	1.332 (3)
Zn2—O5	2.0880 (14)	C25—H25	0.9300
Zn2—N3	2.2152 (15)	C26—N6	1.335 (3)
Zn2—N5	2.2419 (15)	C26—C27	1.380 (3)
Zn3—O7	2.0601 (13)	C26—H26	0.9300
Zn3—O8	2.0800 (13)	C27—C28	1.388 (3)
Zn3—O10	2.0886 (14)	C27—H27	0.9300
Zn3—O9	2.0910 (14)	C28—C29	1.395 (3)
Zn3—N4ⁱⁱⁱ	2.1497 (15)	C29—C30	1.379 (3)
Zn3—N7	2.2669 (16)	C29—H29	0.9300
C1—N1	1.332 (3)	C30—N6	1.344 (3)
C1—C2	1.373 (3)	C30—H30	0.9300
C1—H1	0.9300	C31—N7	1.335 (3)
C2—C3	1.392 (3)	C31—C32	1.376 (3)
C2—H2	0.9300	C31—H31	0.9300
C3—C4	1.389 (3)	C32—C33	1.393 (3)
C3—C8	1.489 (3)	C32—H32	0.9300
C4—C5	1.374 (3)	C33—C34	1.392 (3)
C4—H4	0.9300	C33—C38	1.485 (2)
C5—N1	1.331 (3)	C34—C35	1.366 (3)
C5—H5	0.9300	C34—H34	0.9300
C6—N2	1.328 (3)	C35—N7	1.341 (3)
C6—C7	1.380 (3)	C35—H35	0.9300
C6—H6	0.9300	C36—N8	1.330 (3)
C7—C8	1.386 (3)	C36—C37	1.383 (3)
C7—H7	0.9300	C36—H36	0.9300
C8—C9	1.396 (3)	C37—C38	1.386 (3)
C9—C10	1.375 (3)	C37—H37	0.9300
C9—H9	0.9300	C38—C39	1.390 (3)
C10—N2	1.334 (3)	C39—C40	1.380 (3)
C10—H10	0.9300	C39—H39	0.9300
C11—N3	1.334 (3)	C40—N8	1.325 (3)
C11—C12	1.378 (3)	C40—H40	0.9300
C11—H11	0.9300	C41—O3	1.255 (2)
C12—C13	1.385 (3)	C41—O1	1.256 (2)
C12—H12	0.9300	C41—C42	1.561 (3)
C13—C14	1.387 (3)	C42—O4	1.250 (2)
C13—C18	1.485 (3)	C42—O2	1.256 (2)
C14—C15	1.378 (3)	C43—O5	1.254 (2)
C14—H14	0.9300	C43—O7	1.255 (2)
C15—N3	1.335 (2)	C43—C44	1.565 (3)
C15—H15	0.9300	C44—O6	1.254 (2)
C16—N4	1.340 (2)	C44—O8	1.255 (2)
C16—C17	1.376 (3)	C45—O9	1.250 (2)
C16—H16	0.9300	C45—O11	1.253 (2)
C17—C18	1.392 (3)	C45—C46	1.565 (3)
C17—H17	0.9300	C46—O10	1.251 (2)
C18—C19	1.386 (3)	C46—O12	1.252 (2)
C19—C20	1.381 (3)	N4—Zn3^iv	2.1497 (15)
C19—H19	0.9300	N6—Zn1^v	2.1601 (15)
C20—N4	1.333 (3)	O11—Zn1^vi	2.0806 (14)
C20—H20	0.9300	O12—Zn1^vi	2.0749 (14)
C21—N5	1.335 (2)

O2—Zn1—O1	82.00 (5)	C21—C22—C23	119.30 (19)
O2—Zn1—O12ⁱ	96.63 (5)	C21—C22—H22	120.4
O1—Zn1—O12ⁱ	169.73 (5)	C23—C22—H22	120.4
O2—Zn1—O11ⁱ	170.69 (5)	C22—C23—C24	117.10 (17)
O1—Zn1—O11ⁱ	98.11 (5)	C22—C23—C28	121.62 (18)
O12ⁱ—Zn1—O11ⁱ	81.59 (5)	C24—C23—C28	121.28 (19)
O2—Zn1—N6ⁱⁱ	98.48 (6)	C25—C24—C23	119.20 (19)
O1—Zn1—N6ⁱⁱ	99.29 (6)	C25—C24—H24	120.4
O12ⁱ—Zn1—N6ⁱⁱ	90.98 (6)	C23—C24—H24	120.4
O11ⁱ—Zn1—N6ⁱⁱ	90.70 (6)	N5—C25—C24	124.12 (19)
O2—Zn1—N1	86.24 (6)	N5—C25—H25	117.9
O1—Zn1—N1	86.05 (6)	C24—C25—H25	117.9
O12ⁱ—Zn1—N1	83.70 (6)	N6—C26—C27	123.73 (19)
O11ⁱ—Zn1—N1	84.48 (6)	N6—C26—H26	118.1
N6ⁱⁱ—Zn1—N1	173.28 (6)	C27—C26—H26	118.1
O3—Zn2—O6	178.52 (5)	C26—C27—C28	119.5 (2)
O3—Zn2—O4	81.87 (5)	C26—C27—H27	120.3
O6—Zn2—O4	98.51 (5)	C28—C27—H27	120.3
O3—Zn2—O5	97.62 (5)	C27—C28—C29	117.25 (17)
O6—Zn2—O5	81.97 (5)	C27—C28—C23	121.85 (18)
O4—Zn2—O5	178.58 (5)	C29—C28—C23	120.90 (18)
O3—Zn2—N3	89.68 (6)	C30—C29—C28	119.29 (19)
O6—Zn2—N3	91.76 (6)	C30—C29—H29	120.4
O4—Zn2—N3	89.02 (6)	C28—C29—H29	120.4
O5—Zn2—N3	92.30 (6)	N6—C30—C29	123.6 (2)
O3—Zn2—N5	91.65 (5)	N6—C30—H30	118.2
O6—Zn2—N5	86.90 (5)	C29—C30—H30	118.2
O4—Zn2—N5	92.02 (6)	N7—C31—C32	123.8 (2)
O5—Zn2—N5	86.67 (6)	N7—C31—H31	118.1
N3—Zn2—N5	178.42 (6)	C32—C31—H31	118.1
O7—Zn3—O8	81.75 (5)	C31—C32—C33	119.19 (19)
O7—Zn3—O10	174.68 (5)	C31—C32—H32	120.4
O8—Zn3—O10	98.57 (5)	C33—C32—H32	120.4
O7—Zn3—O9	97.64 (5)	C34—C33—C32	117.10 (18)
O8—Zn3—O9	171.61 (5)	C34—C33—C38	121.42 (19)
O10—Zn3—O9	81.26 (5)	C32—C33—C38	121.48 (18)
O7—Zn3—N4ⁱⁱⁱ	95.43 (6)	C35—C34—C33	119.5 (2)
O8—Zn3—N4ⁱⁱⁱ	97.22 (6)	C35—C34—H34	120.2
O10—Zn3—N4ⁱⁱⁱ	89.80 (6)	C33—C34—H34	120.2
O9—Zn3—N4ⁱⁱⁱ	91.17 (6)	N7—C35—C34	123.81 (19)
O7—Zn3—N7	89.82 (6)	N7—C35—H35	118.1
O8—Zn3—N7	87.61 (6)	C34—C35—H35	118.1
O10—Zn3—N7	84.89 (6)	N8—C36—C37	124.0 (2)
O9—Zn3—N7	84.01 (6)	N8—C36—H36	118.0
N4ⁱⁱⁱ—Zn3—N7	173.31 (6)	C37—C36—H36	118.0
N1—C1—C2	124.09 (19)	C36—C37—C38	118.7 (2)
N1—C1—H1	118.0	C36—C37—H37	120.7
C2—C1—H1	118.0	C38—C37—H37	120.7
C1—C2—C3	119.2 (2)	C37—C38—C39	117.81 (18)
C1—C2—H2	120.4	C37—C38—C33	121.99 (19)
C3—C2—H2	120.4	C39—C38—C33	120.19 (18)
C4—C3—C2	117.02 (18)	C40—C39—C38	118.7 (2)
C4—C3—C8	121.79 (18)	C40—C39—H39	120.7
C2—C3—C8	121.19 (19)	C38—C39—H39	120.7
C5—C4—C3	119.3 (2)	N8—C40—C39	124.2 (2)
C5—C4—H4	120.4	N8—C40—H40	117.9
C3—C4—H4	120.4	C39—C40—H40	117.9
N1—C5—C4	124.1 (2)	O3—C41—O1	124.80 (19)
N1—C5—H5	118.0	O3—C41—C42	117.75 (17)
C4—C5—H5	118.0	O1—C41—C42	117.44 (17)
N2—C6—C7	124.1 (2)	O4—C42—O2	125.43 (19)
N2—C6—H6	117.9	O4—C42—C41	117.63 (17)
C7—C6—H6	117.9	O2—C42—C41	116.93 (17)
C6—C7—C8	118.9 (2)	O5—C43—O7	124.97 (19)
C6—C7—H7	120.5	O5—C43—C44	117.81 (18)
C8—C7—H7	120.5	O7—C43—C44	117.21 (18)
C7—C8—C9	117.50 (18)	O6—C44—O8	125.37 (19)
C7—C8—C3	121.56 (19)	O6—C44—C43	117.63 (17)
C9—C8—C3	120.94 (18)	O8—C44—C43	117.00 (17)
C10—C9—C8	118.7 (2)	O9—C45—O11	125.12 (19)
C10—C9—H9	120.6	O9—C45—C46	117.31 (17)
C8—C9—H9	120.6	O11—C45—C46	117.57 (18)
N2—C10—C9	124.3 (2)	O10—C46—O12	125.19 (19)
N2—C10—H10	117.9	O10—C46—C45	117.76 (18)
C9—C10—H10	117.9	O12—C46—C45	117.04 (17)
N3—C11—C12	123.64 (19)	C5—N1—C1	116.36 (17)
N3—C11—H11	118.2	C5—N1—Zn1	122.40 (15)
C12—C11—H11	118.2	C1—N1—Zn1	120.91 (13)
C11—C12—C13	119.4 (2)	C6—N2—C10	116.43 (17)
C11—C12—H12	120.3	C11—N3—C15	116.47 (17)
C13—C12—H12	120.3	C11—N3—Zn2	122.55 (13)
C12—C13—C14	117.37 (18)	C15—N3—Zn2	120.15 (14)
C12—C13—C18	121.92 (19)	C20—N4—C16	116.75 (16)
C14—C13—C18	120.71 (18)	C20—N4—Zn3^iv	120.91 (13)
C15—C14—C13	119.01 (19)	C16—N4—Zn3^iv	122.08 (14)
C15—C14—H14	120.5	C25—N5—C21	116.27 (16)
C13—C14—H14	120.5	C25—N5—Zn2	122.18 (13)
N3—C15—C14	124.0 (2)	C21—N5—Zn2	120.75 (14)
N3—C15—H15	118.0	C26—N6—C30	116.68 (16)
C14—C15—H15	118.0	C26—N6—Zn1^v	120.75 (13)
N4—C16—C17	123.74 (19)	C30—N6—Zn1^v	122.56 (14)
N4—C16—H16	118.1	C31—N7—C35	116.53 (17)
C17—C16—H16	118.1	C31—N7—Zn3	121.17 (14)
C16—C17—C18	119.03 (19)	C35—N7—Zn3	120.47 (13)
C16—C17—H17	120.5	C40—N8—C36	116.69 (17)
C18—C17—H17	120.5	C41—O1—Zn1	110.60 (12)
C19—C18—C17	117.55 (18)	C42—O2—Zn1	111.23 (13)
C19—C18—C13	121.15 (19)	C41—O3—Zn2	111.22 (12)
C17—C18—C13	121.30 (18)	C42—O4—Zn2	111.04 (13)
C20—C19—C18	119.3 (2)	C43—O5—Zn2	109.81 (12)
C20—C19—H19	120.4	C44—O6—Zn2	110.48 (12)
C18—C19—H19	120.4	C43—O7—Zn3	111.57 (13)
N4—C20—C19	123.62 (19)	C44—O8—Zn3	110.84 (12)
N4—C20—H20	118.2	C45—O9—Zn3	111.79 (13)
C19—C20—H20	118.2	C46—O10—Zn3	111.46 (13)
N5—C21—C22	123.9 (2)	C45—O11—Zn1^vi	111.09 (13)
N5—C21—H21	118.0	C46—O12—Zn1^vi	111.31 (13)
C22—C21—H21	118.0

N1—C1—C2—C3	0.2 (4)	O4—Zn2—N3—C15	71.21 (16)
C1—C2—C3—C4	0.1 (3)	O5—Zn2—N3—C15	−109.31 (16)
C1—C2—C3—C8	−179.2 (2)	C19—C20—N4—C16	−1.4 (3)
C2—C3—C4—C5	0.2 (3)	C19—C20—N4—Zn3^iv	172.85 (17)
C8—C3—C4—C5	179.5 (2)	C17—C16—N4—C20	2.5 (3)
C3—C4—C5—N1	−0.8 (4)	C17—C16—N4—Zn3^iv	−171.72 (16)
N2—C6—C7—C8	−0.5 (3)	C24—C25—N5—C21	−3.2 (3)
C6—C7—C8—C9	0.0 (3)	C24—C25—N5—Zn2	166.59 (16)
C6—C7—C8—C3	−179.89 (19)	C22—C21—N5—C25	2.4 (3)
C4—C3—C8—C7	−27.1 (3)	C22—C21—N5—Zn2	−167.55 (17)
C2—C3—C8—C7	152.2 (2)	O3—Zn2—N5—C25	−137.77 (16)
C4—C3—C8—C9	153.0 (2)	O6—Zn2—N5—C25	42.57 (16)
C2—C3—C8—C9	−27.7 (3)	O4—Zn2—N5—C25	−55.85 (16)
C7—C8—C9—C10	0.5 (3)	O5—Zn2—N5—C25	124.69 (16)
C3—C8—C9—C10	−179.63 (19)	O3—Zn2—N5—C21	31.62 (16)
C8—C9—C10—N2	−0.6 (3)	O6—Zn2—N5—C21	−148.04 (16)
N3—C11—C12—C13	0.0 (3)	O4—Zn2—N5—C21	113.54 (16)
C11—C12—C13—C14	−2.9 (3)	O5—Zn2—N5—C21	−65.92 (16)
C11—C12—C13—C18	177.3 (2)	C27—C26—N6—C30	0.4 (3)
C12—C13—C14—C15	3.4 (3)	C27—C26—N6—Zn1^v	179.26 (16)
C18—C13—C14—C15	−176.8 (2)	C29—C30—N6—C26	−1.4 (3)
C13—C14—C15—N3	−1.1 (4)	C29—C30—N6—Zn1^v	179.69 (16)
N4—C16—C17—C18	−1.3 (3)	C32—C31—N7—C35	−2.1 (3)
C16—C17—C18—C19	−1.0 (3)	C32—C31—N7—Zn3	162.52 (17)
C16—C17—C18—C13	179.26 (19)	C34—C35—N7—C31	2.4 (3)
C12—C13—C18—C19	142.9 (2)	C34—C35—N7—Zn3	−162.39 (18)
C14—C13—C18—C19	−36.8 (3)	O7—Zn3—N7—C31	43.48 (17)
C12—C13—C18—C17	−37.4 (3)	O8—Zn3—N7—C31	125.24 (17)
C14—C13—C18—C17	142.9 (2)	O10—Zn3—N7—C31	−135.94 (17)
C17—C18—C19—C20	2.0 (3)	O9—Zn3—N7—C31	−54.22 (16)
C13—C18—C19—C20	−178.3 (2)	O7—Zn3—N7—C35	−152.46 (17)
C18—C19—C20—N4	−0.8 (3)	O8—Zn3—N7—C35	−70.71 (17)
N5—C21—C22—C23	0.5 (3)	O10—Zn3—N7—C35	28.12 (17)
C21—C22—C23—C24	−2.7 (3)	O9—Zn3—N7—C35	109.84 (17)
C21—C22—C23—C28	177.1 (2)	C39—C40—N8—C36	0.2 (3)
C22—C23—C24—C25	2.0 (3)	C37—C36—N8—C40	−0.7 (3)
C28—C23—C24—C25	−177.85 (19)	O3—C41—O1—Zn1	−168.46 (13)
C23—C24—C25—N5	1.1 (3)	C42—C41—O1—Zn1	11.04 (17)
N6—C26—C27—C28	1.1 (3)	O2—Zn1—O1—C41	−11.84 (11)
C26—C27—C28—C29	−1.5 (3)	O12ⁱ—Zn1—O1—C41	71.2 (3)
C26—C27—C28—C23	178.41 (19)	O11ⁱ—Zn1—O1—C41	158.75 (11)
C22—C23—C28—C27	33.0 (3)	N6ⁱⁱ—Zn1—O1—C41	−109.19 (12)
C24—C23—C28—C27	−147.2 (2)	N1—Zn1—O1—C41	74.91 (12)
C22—C23—C28—C29	−147.2 (2)	O4—C42—O2—Zn1	170.32 (14)
C24—C23—C28—C29	32.7 (3)	C41—C42—O2—Zn1	−8.10 (18)
C27—C28—C29—C30	0.5 (3)	O1—Zn1—O2—C42	10.74 (11)
C23—C28—C29—C30	−179.4 (2)	O12ⁱ—Zn1—O2—C42	−158.99 (11)
C28—C29—C30—N6	1.0 (3)	N6ⁱⁱ—Zn1—O2—C42	109.01 (12)
N7—C31—C32—C33	0.1 (3)	N1—Zn1—O2—C42	−75.79 (12)
C31—C32—C33—C34	1.8 (3)	O1—C41—O3—Zn2	175.26 (13)
C31—C32—C33—C38	−178.37 (19)	C42—C41—O3—Zn2	−4.24 (18)
C32—C33—C34—C35	−1.6 (3)	O4—Zn2—O3—C41	5.58 (11)
C38—C33—C34—C35	178.6 (2)	O5—Zn2—O3—C41	−175.76 (11)
C33—C34—C35—N7	−0.5 (4)	N3—Zn2—O3—C41	−83.48 (12)
N8—C36—C37—C38	0.1 (3)	N5—Zn2—O3—C41	97.38 (12)
C36—C37—C38—C39	0.9 (3)	O2—C42—O4—Zn2	−172.59 (14)
C36—C37—C38—C33	−179.45 (19)	C41—C42—O4—Zn2	5.81 (18)
C34—C33—C38—C37	−148.9 (2)	O3—Zn2—O4—C42	−6.22 (11)
C32—C33—C38—C37	31.3 (3)	O6—Zn2—O4—C42	175.23 (11)
C34—C33—C38—C39	30.7 (3)	N3—Zn2—O4—C42	83.60 (12)
C32—C33—C38—C39	−149.1 (2)	N5—Zn2—O4—C42	−97.60 (12)
C37—C38—C39—C40	−1.4 (3)	O7—C43—O5—Zn2	166.57 (14)
C33—C38—C39—C40	179.0 (2)	C44—C43—O5—Zn2	−12.78 (18)
C38—C39—C40—N8	0.9 (3)	O3—Zn2—O5—C43	−165.12 (11)
O3—C41—C42—O4	−1.2 (2)	O6—Zn2—O5—C43	13.44 (11)
O1—C41—C42—O4	179.30 (15)	N3—Zn2—O5—C43	104.89 (12)
O3—C41—C42—O2	177.38 (15)	N5—Zn2—O5—C43	−73.90 (12)
O1—C41—C42—O2	−2.2 (2)	O8—C44—O6—Zn2	−170.12 (14)
O5—C43—C44—O6	3.0 (2)	C43—C44—O6—Zn2	8.79 (18)
O7—C43—C44—O6	−176.43 (15)	O4—Zn2—O6—C44	166.74 (11)
O5—C43—C44—O8	−178.02 (15)	O5—Zn2—O6—C44	−11.91 (11)
O7—C43—C44—O8	2.6 (2)	N3—Zn2—O6—C44	−103.98 (12)
O9—C45—C46—O10	−3.0 (2)	N5—Zn2—O6—C44	75.17 (12)
O11—C45—C46—O10	177.17 (16)	O5—C43—O7—Zn3	−172.01 (14)
O9—C45—C46—O12	176.03 (16)	C44—C43—O7—Zn3	7.35 (18)
O11—C45—C46—O12	−3.8 (2)	O8—Zn3—O7—C43	−10.01 (11)
C4—C5—N1—C1	1.0 (4)	O9—Zn3—O7—C43	161.54 (11)
C4—C5—N1—Zn1	−172.40 (18)	N4ⁱⁱⁱ—Zn3—O7—C43	−106.55 (12)
C2—C1—N1—C5	−0.7 (3)	N7—Zn3—O7—C43	77.60 (12)
C2—C1—N1—Zn1	172.84 (17)	O6—C44—O8—Zn3	168.12 (14)
O2—Zn1—N1—C5	−46.49 (18)	C43—C44—O8—Zn3	−10.79 (18)
O1—Zn1—N1—C5	−128.72 (18)	O7—Zn3—O8—C44	11.39 (11)
O12ⁱ—Zn1—N1—C5	50.61 (18)	O10—Zn3—O8—C44	−163.25 (11)
O11ⁱ—Zn1—N1—C5	132.73 (18)	N4ⁱⁱⁱ—Zn3—O8—C44	105.86 (12)
O2—Zn1—N1—C1	140.38 (17)	N7—Zn3—O8—C44	−78.78 (12)
O1—Zn1—N1—C1	58.15 (17)	O11—C45—O9—Zn3	177.59 (14)
O12ⁱ—Zn1—N1—C1	−122.52 (17)	C46—C45—O9—Zn3	−2.18 (19)
O11ⁱ—Zn1—N1—C1	−40.40 (17)	O7—Zn3—O9—C45	−170.57 (12)
C7—C6—N2—C10	0.4 (3)	O10—Zn3—O9—C45	4.18 (12)
C9—C10—N2—C6	0.2 (3)	N4ⁱⁱⁱ—Zn3—O9—C45	93.79 (13)
C12—C11—N3—C15	2.4 (3)	N7—Zn3—O9—C45	−81.55 (13)
C12—C11—N3—Zn2	−167.20 (16)	O12—C46—O10—Zn3	−172.59 (15)
C14—C15—N3—C11	−1.8 (3)	C45—C46—O10—Zn3	6.39 (19)
C14—C15—N3—Zn2	168.05 (17)	O8—Zn3—O10—C46	165.69 (12)
O3—Zn2—N3—C11	−37.72 (17)	N4ⁱⁱⁱ—Zn3—O10—C46	−97.04 (13)
O6—Zn2—N3—C11	141.92 (17)	N7—Zn3—O10—C46	78.89 (13)
O4—Zn2—N3—C11	−119.59 (17)	O9—C45—O11—Zn1^vi	174.62 (15)
O5—Zn2—N3—C11	59.90 (17)	C46—C45—O11—Zn1^vi	−5.60 (19)
O3—Zn2—N3—C15	153.08 (16)	O10—C46—O12—Zn1^vi	−170.15 (15)
O6—Zn2—N3—C15	−27.28 (17)	C45—C46—O12—Zn1^vi	10.86 (19)

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

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