Bis[μ-2-meth­oxy-N′-(2-oxidobenzo­yl)benzohydrazidato(3–)]dipyridine­trizinc(II)

In the title trinuclear zinc(II) complex, [Zn₃(C₁₅H₁₁N₂O₄)₂(C₅H₅N)₂], the central Zn^II ion has a distorted square-planar coordination involving two O and two N atoms from two bridging N′-(2-hydroxy­benzo­yl)-2-methoxy­benzohydrazide ligands. The coordination around the terminal Zn^II ions is square planar, involving two O atoms and one N atom of the bridging ligand and one N atom from a pyridine mol­ecule.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.050
• wR factor = 0.132
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.84 Ratio
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      43.00 A   3 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SAINT-Plus (Bruker, 2002); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXL97.

[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)

Crystal data

[Zn3(C15H11N2O4)2(C5H5N)2]	F(000) = 1872
Mr = 920.83	Dx = 1.634 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5099 reflections
a = 13.0201 (10) Å	θ = 2.2–24.6°
b = 18.4015 (14) Å	µ = 1.97 mm^−1
c = 16.6352 (12) Å	T = 295 K
β = 110.088 (1)°	Plate, pale-green
V = 3743.2 (5) Å^3	0.33 × 0.18 × 0.08 mm
Z = 4

Data collection

Bruker APEX area-detector diffractometer	7738 independent reflections
Radiation source: fine-focus sealed tube	5721 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.045
φ and ω scans	θmax = 26.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −16→16
Tmin = 0.663, Tmax = 0.858	k = −22→23
30154 measured reflections	l = −20→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.050	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.132	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0646P)^2 + 2.3964P] where P = (Fo^2 + 2Fc^2)/3
7738 reflections	(Δ/σ)max = 0.001
516 parameters	Δρmax = 0.55 e Å^−3
0 restraints	Δρmin = −0.30 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
Zn1	0.38120 (4)	0.38453 (3)	0.49217 (3)	0.04246 (15)
Zn2	0.68879 (3)	0.37722 (3)	0.72582 (3)	0.03819 (14)
Zn3	0.99373 (3)	0.41306 (3)	0.96204 (3)	0.04051 (14)
O1	0.6148 (2)	0.25480 (15)	0.78228 (17)	0.0492 (7)
O2	0.3587 (2)	0.33770 (15)	0.58993 (15)	0.0456 (7)
O3	0.7091 (2)	0.40432 (14)	0.61893 (15)	0.0385 (6)
O4	0.4172 (2)	0.42747 (15)	0.40280 (15)	0.0439 (7)
O5	0.7940 (2)	0.25890 (15)	0.68989 (17)	0.0518 (7)
O6	1.0240 (2)	0.37343 (15)	0.86216 (16)	0.0464 (7)
O7	0.66286 (19)	0.40734 (15)	0.82994 (15)	0.0397 (6)
O8	0.9452 (2)	0.45540 (15)	1.04795 (15)	0.0415 (6)
N1	0.2235 (3)	0.38014 (18)	0.4206 (2)	0.0437 (8)
N2	0.5423 (2)	0.35689 (16)	0.64873 (17)	0.0325 (7)
N3	0.5284 (2)	0.38023 (16)	0.56566 (17)	0.0335 (7)
N4	0.8393 (2)	0.38040 (17)	0.80227 (18)	0.0372 (7)
N5	0.8477 (2)	0.40412 (17)	0.88432 (18)	0.0357 (7)
N6	1.1446 (3)	0.39027 (17)	1.0430 (2)	0.0422 (8)
C1	0.1612 (4)	0.3239 (3)	0.4243 (3)	0.0580 (12)
H1	0.1904	0.2876	0.4646	0.070*
C2	0.0542 (4)	0.3181 (3)	0.3698 (3)	0.0758 (16)
H2	0.0125	0.2776	0.3721	0.091*
C3	0.0107 (4)	0.3719 (3)	0.3130 (4)	0.0886 (19)
H3	−0.0615	0.3694	0.2762	0.106*
C4	0.0745 (4)	0.4301 (3)	0.3103 (3)	0.0772 (16)
H4	0.0459	0.4680	0.2722	0.093*
C5	0.1799 (4)	0.4322 (2)	0.3638 (3)	0.0554 (12)
H5	0.2233	0.4715	0.3606	0.066*
C6	0.5153 (3)	0.44234 (19)	0.4029 (2)	0.0377 (9)
C7	0.5248 (4)	0.4729 (2)	0.3278 (2)	0.0509 (11)
H7	0.4614	0.4813	0.2812	0.061*
C8	0.6219 (4)	0.4904 (2)	0.3210 (3)	0.0590 (12)
H8	0.6239	0.5105	0.2702	0.071*
C9	0.7190 (4)	0.4790 (3)	0.3882 (3)	0.0622 (13)
H9	0.7858	0.4909	0.3828	0.075*
C10	0.7148 (4)	0.4497 (2)	0.4625 (3)	0.0479 (10)
H10	0.7796	0.4417	0.5078	0.058*
C11	0.6145 (3)	0.43156 (19)	0.4723 (2)	0.0352 (8)
C12	0.6186 (3)	0.40419 (18)	0.5568 (2)	0.0324 (8)
C13	0.4482 (3)	0.3357 (2)	0.6547 (2)	0.0370 (8)
C14	0.4415 (3)	0.3110 (2)	0.7377 (2)	0.0408 (9)
C15	0.5241 (3)	0.2726 (2)	0.8003 (2)	0.0410 (9)
C16	0.5071 (4)	0.2524 (2)	0.8758 (3)	0.0537 (11)
H16	0.5610	0.2265	0.9175	0.064*
C17	0.4122 (5)	0.2702 (3)	0.8890 (3)	0.0665 (14)
H17	0.4028	0.2573	0.9400	0.080*
C18	0.3310 (5)	0.3068 (3)	0.8280 (3)	0.0714 (15)
H18	0.2665	0.3186	0.8372	0.086*
C19	0.3456 (4)	0.3258 (3)	0.7533 (3)	0.0561 (11)
H19	0.2893	0.3497	0.7114	0.067*
C20	0.7024 (4)	0.2199 (3)	0.8480 (3)	0.0724 (15)
H20A	0.7242	0.2495	0.8986	0.109*
H20B	0.7634	0.2136	0.8287	0.109*
H20C	0.6784	0.1734	0.8606	0.109*
C21	0.8427 (3)	0.45583 (19)	1.0471 (2)	0.0346 (8)
C22	0.8264 (3)	0.4792 (2)	1.1222 (2)	0.0458 (10)
H22	0.8870	0.4923	1.1690	0.055*
C23	0.7255 (4)	0.4833 (3)	1.1288 (3)	0.0549 (11)
H23	0.7179	0.4994	1.1795	0.066*
C24	0.6343 (3)	0.4637 (2)	1.0608 (3)	0.0523 (11)
H24	0.5654	0.4653	1.0658	0.063*
C25	0.6462 (3)	0.4420 (2)	0.9859 (2)	0.0435 (9)
H25	0.5842	0.4300	0.9397	0.052*
C26	0.7493 (3)	0.43732 (19)	0.9767 (2)	0.0334 (8)
C27	0.7520 (3)	0.41561 (18)	0.8924 (2)	0.0328 (8)
C28	0.9357 (3)	0.3648 (2)	0.7978 (2)	0.0382 (9)
C29	0.9464 (3)	0.3360 (2)	0.7176 (2)	0.0430 (10)
C30	0.8761 (3)	0.2840 (2)	0.6653 (2)	0.0479 (10)
C31	0.8955 (4)	0.2587 (3)	0.5925 (3)	0.0671 (14)
H31	0.8507	0.2229	0.5588	0.081*
C32	0.9798 (5)	0.2862 (4)	0.5705 (3)	0.092 (2)
H32	0.9910	0.2694	0.5214	0.111*
C33	1.0485 (4)	0.3384 (4)	0.6203 (3)	0.091 (2)
H33	1.1049	0.3577	0.6046	0.109*
C34	1.0320 (4)	0.3615 (3)	0.6936 (3)	0.0662 (14)
H34	1.0799	0.3954	0.7284	0.079*
C35	0.7130 (4)	0.2140 (3)	0.6310 (3)	0.0704 (15)
H35A	0.6795	0.2399	0.5784	0.106*
H35B	0.6582	0.2012	0.6551	0.106*
H35C	0.7468	0.1706	0.6199	0.106*
C36	1.2253 (3)	0.3749 (2)	1.0147 (3)	0.0519 (11)
H36	1.2100	0.3727	0.9558	0.062*
C37	1.3303 (4)	0.3620 (3)	1.0677 (3)	0.0655 (14)
H37	1.3852	0.3527	1.0451	0.079*
C38	1.3534 (4)	0.3630 (3)	1.1545 (3)	0.0738 (16)
H38	1.4234	0.3527	1.1919	0.089*
C39	1.2722 (4)	0.3793 (3)	1.1841 (3)	0.0807 (17)
H39	1.2857	0.3817	1.2427	0.097*
C40	1.1689 (4)	0.3925 (3)	1.1268 (3)	0.0632 (13)
H40	1.1135	0.4035	1.1482	0.076*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0390 (3)	0.0505 (3)	0.0288 (2)	−0.0003 (2)	−0.00010 (19)	0.00339 (19)
Zn2	0.0336 (2)	0.0461 (3)	0.0264 (2)	−0.00035 (19)	−0.00050 (18)	−0.00085 (18)
Zn3	0.0337 (2)	0.0520 (3)	0.0286 (2)	0.0021 (2)	0.00142 (18)	−0.00831 (19)
O1	0.0500 (17)	0.0540 (17)	0.0381 (15)	0.0118 (14)	0.0080 (13)	0.0173 (13)
O2	0.0329 (14)	0.0609 (18)	0.0339 (14)	−0.0077 (13)	−0.0004 (12)	0.0088 (13)
O3	0.0324 (14)	0.0455 (15)	0.0323 (14)	−0.0030 (11)	0.0043 (11)	0.0040 (11)
O4	0.0455 (16)	0.0568 (17)	0.0234 (13)	0.0040 (13)	0.0043 (12)	0.0069 (12)
O5	0.0621 (19)	0.0483 (17)	0.0389 (16)	−0.0080 (14)	0.0096 (14)	−0.0164 (13)
O6	0.0334 (14)	0.0644 (19)	0.0332 (14)	0.0047 (13)	0.0007 (12)	−0.0180 (13)
O7	0.0278 (13)	0.0553 (16)	0.0299 (13)	−0.0003 (12)	0.0019 (11)	−0.0041 (12)
O8	0.0345 (14)	0.0601 (17)	0.0256 (13)	−0.0035 (12)	0.0047 (11)	−0.0110 (12)
N1	0.0385 (18)	0.049 (2)	0.0319 (17)	−0.0008 (15)	−0.0027 (14)	−0.0001 (14)
N2	0.0326 (16)	0.0379 (16)	0.0218 (14)	−0.0010 (13)	0.0025 (12)	0.0050 (12)
N3	0.0358 (17)	0.0377 (17)	0.0213 (15)	−0.0025 (13)	0.0025 (12)	0.0018 (12)
N4	0.0343 (17)	0.0450 (18)	0.0233 (15)	0.0034 (14)	−0.0014 (13)	−0.0078 (13)
N5	0.0325 (16)	0.0441 (18)	0.0227 (15)	0.0029 (14)	−0.0005 (13)	−0.0075 (12)
N6	0.0406 (19)	0.0452 (19)	0.0316 (17)	0.0006 (15)	0.0004 (14)	−0.0012 (14)
C1	0.054 (3)	0.057 (3)	0.055 (3)	−0.007 (2)	0.008 (2)	0.003 (2)
C2	0.062 (3)	0.078 (4)	0.075 (4)	−0.030 (3)	0.008 (3)	−0.003 (3)
C3	0.052 (3)	0.106 (5)	0.073 (4)	−0.013 (3)	−0.023 (3)	0.015 (3)
C4	0.053 (3)	0.084 (4)	0.067 (3)	−0.005 (3)	−0.016 (3)	0.022 (3)
C5	0.054 (3)	0.052 (3)	0.045 (2)	−0.003 (2)	−0.003 (2)	0.006 (2)
C6	0.057 (3)	0.0305 (19)	0.0262 (18)	0.0026 (17)	0.0151 (18)	−0.0022 (14)
C7	0.072 (3)	0.046 (2)	0.032 (2)	0.004 (2)	0.014 (2)	0.0010 (17)
C8	0.092 (4)	0.055 (3)	0.040 (2)	−0.006 (3)	0.035 (3)	0.004 (2)
C9	0.074 (3)	0.065 (3)	0.061 (3)	−0.020 (3)	0.040 (3)	−0.006 (2)
C10	0.055 (3)	0.049 (2)	0.043 (2)	−0.005 (2)	0.021 (2)	−0.0033 (19)
C11	0.045 (2)	0.0318 (19)	0.0287 (18)	−0.0033 (16)	0.0131 (16)	−0.0039 (15)
C12	0.038 (2)	0.0284 (18)	0.0282 (18)	0.0007 (15)	0.0079 (16)	−0.0029 (14)
C13	0.041 (2)	0.035 (2)	0.0305 (19)	−0.0009 (16)	0.0060 (16)	0.0047 (15)
C14	0.045 (2)	0.039 (2)	0.037 (2)	−0.0060 (17)	0.0116 (18)	0.0034 (16)
C15	0.052 (2)	0.034 (2)	0.031 (2)	−0.0043 (18)	0.0073 (18)	0.0034 (15)
C16	0.075 (3)	0.047 (2)	0.035 (2)	−0.002 (2)	0.014 (2)	0.0125 (18)
C17	0.102 (4)	0.057 (3)	0.055 (3)	−0.004 (3)	0.045 (3)	0.011 (2)
C18	0.082 (4)	0.072 (3)	0.080 (4)	0.007 (3)	0.054 (3)	0.015 (3)
C19	0.052 (3)	0.063 (3)	0.058 (3)	0.009 (2)	0.025 (2)	0.019 (2)
C20	0.063 (3)	0.085 (4)	0.060 (3)	0.016 (3)	0.010 (2)	0.037 (3)
C21	0.039 (2)	0.0328 (19)	0.0309 (19)	0.0030 (16)	0.0104 (16)	0.0020 (15)
C22	0.045 (2)	0.058 (3)	0.031 (2)	0.004 (2)	0.0093 (18)	−0.0057 (18)
C23	0.060 (3)	0.074 (3)	0.034 (2)	0.011 (2)	0.020 (2)	−0.004 (2)
C24	0.040 (2)	0.069 (3)	0.050 (3)	0.012 (2)	0.018 (2)	0.000 (2)
C25	0.038 (2)	0.049 (2)	0.040 (2)	0.0069 (18)	0.0082 (18)	0.0017 (18)
C26	0.0344 (19)	0.0353 (19)	0.0285 (18)	0.0061 (15)	0.0081 (15)	0.0044 (15)
C27	0.0307 (19)	0.0281 (18)	0.0327 (19)	0.0018 (15)	0.0019 (15)	−0.0002 (14)
C28	0.038 (2)	0.041 (2)	0.0283 (19)	0.0020 (17)	0.0028 (16)	−0.0066 (15)
C29	0.037 (2)	0.054 (2)	0.031 (2)	0.0087 (18)	0.0018 (16)	−0.0114 (17)
C30	0.048 (2)	0.054 (3)	0.031 (2)	0.012 (2)	0.0007 (18)	−0.0083 (18)
C31	0.066 (3)	0.090 (4)	0.040 (3)	0.003 (3)	0.011 (2)	−0.028 (2)
C32	0.073 (4)	0.156 (6)	0.054 (3)	−0.004 (4)	0.030 (3)	−0.046 (4)
C33	0.062 (3)	0.153 (6)	0.069 (4)	−0.020 (4)	0.036 (3)	−0.036 (4)
C34	0.044 (3)	0.102 (4)	0.049 (3)	−0.006 (3)	0.010 (2)	−0.025 (3)
C35	0.067 (3)	0.069 (3)	0.070 (3)	−0.014 (3)	0.016 (3)	−0.037 (3)
C36	0.046 (2)	0.055 (3)	0.043 (2)	0.014 (2)	0.001 (2)	−0.0032 (19)
C37	0.050 (3)	0.065 (3)	0.067 (3)	0.016 (2)	0.002 (2)	−0.014 (2)
C38	0.059 (3)	0.068 (3)	0.063 (3)	0.021 (3)	−0.019 (3)	−0.007 (3)
C39	0.065 (3)	0.121 (5)	0.034 (3)	0.017 (3)	−0.011 (2)	0.007 (3)
C40	0.051 (3)	0.093 (4)	0.036 (2)	0.008 (3)	0.003 (2)	0.003 (2)

Geometric parameters (Å, º)

Zn1—O4	1.880 (3)	C10—H10	0.93
Zn1—N3	1.888 (3)	C11—C12	1.476 (5)
Zn1—O2	1.950 (3)	C13—C14	1.483 (5)
Zn1—N1	1.990 (3)	C14—C19	1.387 (6)
Zn2—N2	1.934 (3)	C14—C15	1.404 (5)
Zn2—N4	1.936 (3)	C15—C16	1.398 (5)
Zn2—O3	1.951 (2)	C16—C17	1.367 (7)
Zn2—O7	1.955 (2)	C16—H16	0.93
Zn3—N5	1.904 (3)	C17—C18	1.364 (7)
Zn3—O8	1.915 (2)	C17—H17	0.93
Zn3—O6	1.974 (3)	C18—C19	1.366 (6)
Zn3—N6	2.008 (3)	C18—H18	0.93
O1—C15	1.355 (5)	C19—H19	0.93
O1—C20	1.432 (5)	C20—H20A	0.96
O2—C13	1.288 (4)	C20—H20B	0.96
O3—C12	1.273 (4)	C20—H20C	0.96
O4—C6	1.306 (5)	C21—C22	1.403 (5)
O5—C30	1.350 (5)	C21—C26	1.411 (5)
O5—C35	1.431 (5)	C22—C23	1.358 (6)
O6—C28	1.283 (4)	C22—H22	0.93
O7—C27	1.274 (4)	C23—C24	1.376 (6)
O8—C21	1.330 (4)	C23—H23	0.93
N1—C5	1.328 (5)	C24—C25	1.367 (5)
N1—C1	1.329 (5)	C24—H24	0.93
N2—C13	1.321 (4)	C25—C26	1.406 (5)
N2—N3	1.398 (4)	C25—H25	0.93
N3—C12	1.310 (5)	C26—C27	1.469 (5)
N4—C28	1.315 (5)	C28—C29	1.486 (5)
N4—N5	1.401 (4)	C29—C34	1.387 (6)
N5—C27	1.315 (4)	C29—C30	1.402 (5)
N6—C40	1.320 (5)	C30—C31	1.399 (6)
N6—C36	1.322 (5)	C31—C32	1.368 (7)
C1—C2	1.382 (6)	C31—H31	0.93
C1—H1	0.93	C32—C33	1.378 (8)
C2—C3	1.352 (7)	C32—H32	0.93
C2—H2	0.93	C33—C34	1.378 (6)
C3—C4	1.365 (7)	C33—H33	0.93
C3—H3	0.93	C34—H34	0.93
C4—C5	1.356 (6)	C35—H35A	0.96
C4—H4	0.93	C35—H35B	0.96
C5—H5	0.93	C35—H35C	0.96
C6—C7	1.414 (5)	C36—C37	1.369 (6)
C6—C11	1.420 (5)	C36—H36	0.93
C7—C8	1.347 (6)	C37—C38	1.370 (7)
C7—H7	0.93	C37—H37	0.93
C8—C9	1.386 (7)	C38—C39	1.345 (7)
C8—H8	0.93	C38—H38	0.93
C9—C10	1.367 (6)	C39—C40	1.377 (6)
C9—H9	0.93	C39—H39	0.93
C10—C11	1.411 (5)	C40—H40	0.93
O4—Zn1—N3	93.23 (12)	C15—C14—C13	124.7 (4)
O4—Zn1—O2	174.51 (11)	O1—C15—C16	123.5 (4)
N3—Zn1—O2	81.45 (11)	O1—C15—C14	117.5 (3)
O4—Zn1—N1	91.73 (13)	C16—C15—C14	118.9 (4)
N3—Zn1—N1	174.25 (13)	C17—C16—C15	120.7 (4)
O2—Zn1—N1	93.51 (12)	C17—C16—H16	119.7
N2—Zn2—N4	170.49 (13)	C15—C16—H16	119.7
N2—Zn2—O3	81.76 (11)	C18—C17—C16	120.8 (4)
N4—Zn2—O3	99.64 (12)	C18—C17—H17	119.6
N2—Zn2—O7	102.20 (11)	C16—C17—H17	119.6
N4—Zn2—O7	81.56 (11)	C17—C18—C19	119.2 (5)
O3—Zn2—O7	148.65 (12)	C17—C18—H18	120.4
N5—Zn3—O8	91.91 (11)	C19—C18—H18	120.4
N5—Zn3—O6	80.68 (11)	C18—C19—C14	122.4 (4)
O8—Zn3—O6	172.11 (10)	C18—C19—H19	118.8
N5—Zn3—N6	162.99 (13)	C14—C19—H19	118.8
O8—Zn3—N6	94.69 (12)	O1—C20—H20A	109.5
O6—Zn3—N6	93.17 (12)	O1—C20—H20B	109.5
C15—O1—C20	117.8 (3)	H20A—C20—H20B	109.5
C13—O2—Zn1	111.0 (2)	O1—C20—H20C	109.5
C12—O3—Zn2	111.2 (2)	H20A—C20—H20C	109.5
C6—O4—Zn1	126.7 (2)	H20B—C20—H20C	109.5
C30—O5—C35	117.7 (3)	O8—C21—C22	116.8 (3)
C28—O6—Zn3	111.5 (2)	O8—C21—C26	125.6 (3)
C27—O7—Zn2	111.7 (2)	C22—C21—C26	117.6 (3)
C21—O8—Zn3	125.6 (2)	C23—C22—C21	122.4 (4)
C5—N1—C1	118.4 (4)	C23—C22—H22	118.8
C5—N1—Zn1	119.8 (3)	C21—C22—H22	118.8
C1—N1—Zn1	121.6 (3)	C22—C23—C24	120.3 (4)
C13—N2—N3	110.9 (3)	C22—C23—H23	119.9
C13—N2—Zn2	137.3 (2)	C24—C23—H23	119.9
N3—N2—Zn2	111.1 (2)	C25—C24—C23	119.3 (4)
C12—N3—N2	113.5 (3)	C25—C24—H24	120.4
C12—N3—Zn1	131.5 (2)	C23—C24—H24	120.4
N2—N3—Zn1	114.3 (2)	C24—C25—C26	122.0 (4)
C28—N4—N5	111.5 (3)	C24—C25—H25	119.0
C28—N4—Zn2	136.7 (2)	C26—C25—H25	119.0
N5—N4—Zn2	111.8 (2)	C25—C26—C21	118.5 (3)
C27—N5—N4	113.0 (3)	C25—C26—C27	117.3 (3)
C27—N5—Zn3	132.6 (2)	C21—C26—C27	124.2 (3)
N4—N5—Zn3	114.4 (2)	O7—C27—N5	121.8 (3)
C40—N6—C36	116.9 (4)	O7—C27—C26	119.8 (3)
C40—N6—Zn3	121.7 (3)	N5—C27—C26	118.4 (3)
C36—N6—Zn3	121.3 (3)	O6—C28—N4	121.7 (3)
N1—C1—C2	121.6 (4)	O6—C28—C29	117.4 (3)
N1—C1—H1	119.2	N4—C28—C29	120.9 (3)
C2—C1—H1	119.2	C34—C29—C30	118.1 (4)
C3—C2—C1	119.2 (5)	C34—C29—C28	118.0 (4)
C3—C2—H2	120.4	C30—C29—C28	123.9 (4)
C1—C2—H2	120.4	O5—C30—C31	123.1 (4)
C2—C3—C4	119.0 (5)	O5—C30—C29	117.5 (3)
C2—C3—H3	120.5	C31—C30—C29	119.4 (4)
C4—C3—H3	120.5	C32—C31—C30	120.6 (5)
C5—C4—C3	119.4 (5)	C32—C31—H31	119.7
C5—C4—H4	120.3	C30—C31—H31	119.7
C3—C4—H4	120.3	C31—C32—C33	120.8 (5)
N1—C5—C4	122.4 (4)	C31—C32—H32	119.6
N1—C5—H5	118.8	C33—C32—H32	119.6
C4—C5—H5	118.8	C34—C33—C32	118.7 (5)
O4—C6—C7	117.7 (4)	C34—C33—H33	120.6
O4—C6—C11	126.0 (3)	C32—C33—H33	120.6
C7—C6—C11	116.4 (4)	C33—C34—C29	122.4 (5)
C8—C7—C6	122.6 (4)	C33—C34—H34	118.8
C8—C7—H7	118.7	C29—C34—H34	118.8
C6—C7—H7	118.7	O5—C35—H35A	109.5
C7—C8—C9	121.2 (4)	O5—C35—H35B	109.5
C7—C8—H8	119.4	H35A—C35—H35B	109.5
C9—C8—H8	119.4	O5—C35—H35C	109.5
C10—C9—C8	118.7 (4)	H35A—C35—H35C	109.5
C10—C9—H9	120.6	H35B—C35—H35C	109.5
C8—C9—H9	120.6	N6—C36—C37	123.2 (4)
C9—C10—C11	121.6 (4)	N6—C36—H36	118.4
C9—C10—H10	119.2	C37—C36—H36	118.4
C11—C10—H10	119.2	C36—C37—C38	119.0 (5)
C10—C11—C6	119.5 (3)	C36—C37—H37	120.5
C10—C11—C12	117.3 (3)	C38—C37—H37	120.5
C6—C11—C12	123.2 (3)	C39—C38—C37	118.3 (4)
O3—C12—N3	121.7 (3)	C39—C38—H38	120.8
O3—C12—C11	119.6 (3)	C37—C38—H38	120.8
N3—C12—C11	118.8 (3)	C38—C39—C40	119.3 (5)
O2—C13—N2	121.6 (3)	C38—C39—H39	120.4
O2—C13—C14	117.5 (3)	C40—C39—H39	120.4
N2—C13—C14	120.9 (3)	N6—C40—C39	123.3 (5)
C19—C14—C15	118.0 (4)	N6—C40—H40	118.4
C19—C14—C13	117.3 (3)	C39—C40—H40	118.4
N3—Zn1—O2—C13	7.4 (3)	C10—C11—C12—N3	−173.5 (3)
N1—Zn1—O2—C13	−175.4 (3)	C6—C11—C12—N3	8.6 (5)
N2—Zn2—O3—C12	7.9 (2)	Zn1—O2—C13—N2	−6.2 (5)
N4—Zn2—O3—C12	178.4 (2)	Zn1—O2—C13—C14	171.8 (3)
O7—Zn2—O3—C12	−92.0 (3)	N3—N2—C13—O2	0.1 (5)
N3—Zn1—O4—C6	2.1 (3)	Zn2—N2—C13—O2	169.1 (3)
N1—Zn1—O4—C6	−175.0 (3)	N3—N2—C13—C14	−177.8 (3)
N5—Zn3—O6—C28	2.5 (3)	Zn2—N2—C13—C14	−8.9 (6)
N6—Zn3—O6—C28	166.5 (3)	O2—C13—C14—C19	−31.2 (5)
N2—Zn2—O7—C27	172.7 (2)	N2—C13—C14—C19	146.8 (4)
N4—Zn2—O7—C27	1.6 (2)	O2—C13—C14—C15	147.5 (4)
O3—Zn2—O7—C27	−93.1 (3)	N2—C13—C14—C15	−34.5 (6)
N5—Zn3—O8—C21	13.5 (3)	C20—O1—C15—C16	−6.7 (6)
N6—Zn3—O8—C21	−150.8 (3)	C20—O1—C15—C14	176.0 (4)
O4—Zn1—N1—C5	−34.0 (3)	C19—C14—C15—O1	176.3 (4)
O2—Zn1—N1—C5	147.7 (3)	C13—C14—C15—O1	−2.4 (6)
O4—Zn1—N1—C1	141.9 (3)	C19—C14—C15—C16	−1.2 (6)
O2—Zn1—N1—C1	−36.4 (4)	C13—C14—C15—C16	−179.9 (4)
O3—Zn2—N2—C13	−176.3 (4)	O1—C15—C16—C17	−178.0 (4)
O7—Zn2—N2—C13	−27.9 (4)	C14—C15—C16—C17	−0.6 (6)
O3—Zn2—N2—N3	−7.3 (2)	C15—C16—C17—C18	1.4 (7)
O7—Zn2—N2—N3	141.0 (2)	C16—C17—C18—C19	−0.3 (8)
C13—N2—N3—C12	177.8 (3)	C17—C18—C19—C14	−1.6 (8)
Zn2—N2—N3—C12	5.8 (4)	C15—C14—C19—C18	2.3 (7)
C13—N2—N3—Zn1	6.4 (4)	C13—C14—C19—C18	−178.9 (4)
Zn2—N2—N3—Zn1	−165.57 (14)	Zn3—O8—C21—C22	170.1 (3)
O4—Zn1—N3—C12	4.4 (3)	Zn3—O8—C21—C26	−12.2 (5)
O2—Zn1—N3—C12	−177.0 (3)	O8—C21—C22—C23	178.8 (4)
O4—Zn1—N3—N2	173.8 (2)	C26—C21—C22—C23	0.9 (6)
O2—Zn1—N3—N2	−7.6 (2)	C21—C22—C23—C24	0.5 (7)
O3—Zn2—N4—C28	−35.8 (4)	C22—C23—C24—C25	−1.8 (7)
O7—Zn2—N4—C28	175.9 (4)	C23—C24—C25—C26	1.6 (7)
O3—Zn2—N4—N5	145.8 (2)	C24—C25—C26—C21	−0.1 (6)
O7—Zn2—N4—N5	−2.5 (2)	C24—C25—C26—C27	−178.1 (4)
C28—N4—N5—C27	−175.8 (3)	O8—C21—C26—C25	−178.7 (3)
Zn2—N4—N5—C27	3.0 (4)	C22—C21—C26—C25	−1.1 (5)
C28—N4—N5—Zn3	3.9 (4)	O8—C21—C26—C27	−0.9 (6)
Zn2—N4—N5—Zn3	−177.24 (14)	C22—C21—C26—C27	176.7 (3)
O8—Zn3—N5—C27	−6.5 (4)	Zn2—O7—C27—N5	−0.4 (4)
O6—Zn3—N5—C27	176.2 (4)	Zn2—O7—C27—C26	−179.2 (2)
N6—Zn3—N5—C27	106.4 (5)	N4—N5—C27—O7	−1.8 (5)
O8—Zn3—N5—N4	173.8 (2)	Zn3—N5—C27—O7	178.5 (3)
O6—Zn3—N5—N4	−3.5 (2)	N4—N5—C27—C26	177.1 (3)
N6—Zn3—N5—N4	−73.3 (5)	Zn3—N5—C27—C26	−2.6 (5)
N5—Zn3—N6—C40	−98.7 (5)	C25—C26—C27—O7	5.3 (5)
O8—Zn3—N6—C40	13.8 (4)	C21—C26—C27—O7	−172.5 (3)
O6—Zn3—N6—C40	−166.8 (4)	C25—C26—C27—N5	−173.6 (3)
N5—Zn3—N6—C36	83.8 (6)	C21—C26—C27—N5	8.5 (5)
O8—Zn3—N6—C36	−163.7 (3)	Zn3—O6—C28—N4	−1.0 (5)
O6—Zn3—N6—C36	15.7 (3)	Zn3—O6—C28—C29	179.4 (3)
C5—N1—C1—C2	1.3 (7)	N5—N4—C28—O6	−1.8 (5)
Zn1—N1—C1—C2	−174.7 (4)	Zn2—N4—C28—O6	179.7 (3)
N1—C1—C2—C3	−2.0 (8)	N5—N4—C28—C29	177.8 (3)
C1—C2—C3—C4	0.9 (10)	Zn2—N4—C28—C29	−0.7 (6)
C2—C3—C4—C5	0.8 (10)	O6—C28—C29—C34	−40.6 (6)
C1—N1—C5—C4	0.5 (7)	N4—C28—C29—C34	139.8 (4)
Zn1—N1—C5—C4	176.6 (4)	O6—C28—C29—C30	138.6 (4)
C3—C4—C5—N1	−1.6 (9)	N4—C28—C29—C30	−41.0 (6)
Zn1—O4—C6—C7	178.2 (3)	C35—O5—C30—C31	−11.1 (6)
Zn1—O4—C6—C11	−2.7 (5)	C35—O5—C30—C29	171.2 (4)
O4—C6—C7—C8	179.9 (4)	C34—C29—C30—O5	179.1 (4)
C11—C6—C7—C8	0.8 (6)	C28—C29—C30—O5	−0.1 (6)
C6—C7—C8—C9	0.1 (7)	C34—C29—C30—C31	1.3 (6)
C7—C8—C9—C10	−0.4 (7)	C28—C29—C30—C31	−177.9 (4)
C8—C9—C10—C11	−0.4 (7)	O5—C30—C31—C32	180.0 (5)
C9—C10—C11—C6	1.3 (6)	C29—C30—C31—C32	−2.4 (7)
C9—C10—C11—C12	−176.6 (4)	C30—C31—C32—C33	1.1 (10)
O4—C6—C11—C10	179.5 (3)	C31—C32—C33—C34	1.3 (10)
C7—C6—C11—C10	−1.5 (5)	C32—C33—C34—C29	−2.4 (9)
O4—C6—C11—C12	−2.7 (6)	C30—C29—C34—C33	1.1 (8)
C7—C6—C11—C12	176.4 (3)	C28—C29—C34—C33	−179.7 (5)
Zn2—O3—C12—N3	−7.3 (4)	C40—N6—C36—C37	−0.4 (7)
Zn2—O3—C12—C11	172.8 (2)	Zn3—N6—C36—C37	177.2 (4)
N2—N3—C12—O3	1.0 (5)	N6—C36—C37—C38	1.8 (8)
Zn1—N3—C12—O3	170.5 (2)	C36—C37—C38—C39	−2.4 (8)
N2—N3—C12—C11	−179.0 (3)	C37—C38—C39—C40	1.7 (9)
Zn1—N3—C12—C11	−9.6 (5)	C36—N6—C40—C39	−0.3 (7)
C10—C11—C12—O3	6.4 (5)	Zn3—N6—C40—C39	−178.0 (4)
C6—C11—C12—O3	−171.4 (3)	C38—C39—C40—N6	−0.3 (9)