(Acetato-κO)[benzoyl­acetone (4-methoxy­benzoyl)­hydrazonato-κ³O,N,O′](pyridine-κN)­zinc(II)

The asymmetric unit of title complex, [Zn(C₁₈H₁₇N₂O₃)(C₂H₃O₂)(C₅H₅N)], consists of two independent Zn^II complex mol­ecules, which are held together by N—H...O hydrogen bonds, forming a dimer. Each Zn^II atom has a distorted trigonal–bipyramidal O₃N₂ configuration, defined by two O atoms and one N atom from the tridentate hydrazone ligand, one O atom from the acetate group and one N atom from pyridine mol­ecule. The O atoms of the deprotonated hydrazone ligand occupy the axial sites.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.053
• wR factor = 0.109
• Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    -   O4      ..       7.50 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O2
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C25
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C50

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

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

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Computing details

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

(Acetato-κO)[benzoylacetone (4-methoxybenzoyl)hydrazonato-κ³O,N,O'](pyridine-κN)zinc(II)

Crystal data

[Zn(C18H17N2O3)(C2H3O2)(C5H5N)]	Z = 4
Mr = 512.87	F(000) = 1064
Triclinic, P1	Dx = 1.442 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.590 (3) Å	Cell parameters from 7440 reflections
b = 11.631 (3) Å	θ = 3.2–27.3°
c = 24.709 (5) Å	µ = 1.08 mm^−1
α = 97.790 (9)°	T = 293 K
β = 93.76 (1)°	Prism, yellow
γ = 103.828 (9)°	0.38 × 0.26 × 0.18 mm
V = 2362.7 (11) Å^3

Data collection

Rigaku R-AXIS RAPID diffractometer	10723 independent reflections
Radiation source: fine-focus sealed tube	6375 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.049
Detector resolution: 10 pixels mm^-1	θmax = 27.5°, θmin = 3.1°
ω scans	h = −11→11
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −15→14
Tmin = 0.684, Tmax = 0.829	l = −27→32
22995 measured reflections

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)] = 0.053	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.109	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0472P)^2] where P = (Fo^2 + 2Fc^2)/3
10723 reflections	(Δ/σ)max < 0.001
619 parameters	Δρmax = 0.44 e Å^−3
0 restraints	Δρmin = −0.26 e Å^−3

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

	x	y	z	Uiso*/Ueq
Zn1	0.47890 (5)	0.43086 (3)	0.124239 (12)	0.05093 (12)
Zn2	0.97606 (4)	0.56862 (3)	0.378064 (12)	0.04423 (11)
N1	0.4363 (3)	0.4879 (2)	0.20272 (9)	0.0466 (6)
N2	0.4604 (3)	0.4107 (2)	0.23919 (9)	0.0481 (6)
N3	0.2960 (3)	0.3309 (2)	0.06402 (9)	0.0484 (6)
N4	0.9622 (3)	0.49112 (19)	0.29799 (9)	0.0416 (5)
N5	0.9388 (3)	0.5674 (2)	0.26117 (9)	0.0446 (6)
N6	1.1611 (3)	0.67828 (19)	0.43547 (9)	0.0433 (6)
O1	0.4524 (3)	0.58971 (17)	0.10545 (8)	0.0602 (6)
O2	0.4703 (3)	0.27629 (17)	0.16553 (8)	0.0679 (7)
O3	0.5455 (3)	−0.0380 (2)	0.35180 (10)	0.0824 (7)
O4	0.6547 (3)	0.41491 (19)	0.07578 (8)	0.0627 (6)
O5	0.7869 (3)	0.4912 (2)	0.15475 (9)	0.0795 (8)
O6	1.0292 (3)	0.42196 (17)	0.40121 (8)	0.0581 (6)
O7	1.0030 (3)	0.71736 (16)	0.33268 (7)	0.0558 (6)
O8	0.9144 (3)	1.0370 (2)	0.15171 (9)	0.0701 (6)
O9	0.7843 (2)	0.56930 (19)	0.41728 (7)	0.0574 (6)
O10	0.6357 (3)	0.5127 (2)	0.33866 (9)	0.0803 (8)
C1	0.3516 (4)	0.6033 (3)	0.28061 (11)	0.0575 (8)
C2	0.3838 (3)	0.5821 (3)	0.22152 (11)	0.0464 (7)
C3	0.3582 (3)	0.6646 (3)	0.18762 (11)	0.0492 (7)
C4	0.3927 (3)	0.6671 (2)	0.13369 (12)	0.0474 (7)
C5	0.3672 (3)	0.7669 (2)	0.10458 (12)	0.0483 (7)
C6	0.3449 (4)	0.8746 (3)	0.13121 (13)	0.0627 (9)
C7	0.3311 (4)	0.9664 (3)	0.10289 (15)	0.0679 (10)
C8	0.3400 (4)	0.9542 (3)	0.04722 (15)	0.0671 (9)
C9	0.3602 (4)	0.8480 (3)	0.02010 (14)	0.0655 (9)
C10	0.3740 (4)	0.7563 (3)	0.04850 (12)	0.0561 (8)
C11	0.4778 (4)	0.3040 (3)	0.21638 (12)	0.0506 (8)
C12	0.5001 (4)	0.2182 (3)	0.25357 (11)	0.0488 (7)
C13	0.4309 (4)	0.2120 (3)	0.30266 (12)	0.0573 (8)
C14	0.4476 (4)	0.1244 (3)	0.33375 (12)	0.0651 (9)
C15	0.5373 (4)	0.0448 (3)	0.31796 (13)	0.0604 (9)
C16	0.6072 (4)	0.0501 (3)	0.26964 (14)	0.0693 (10)
C17	0.5883 (5)	0.1357 (3)	0.23811 (13)	0.0677 (10)
C18	0.6450 (5)	−0.1178 (3)	0.33877 (18)	0.0987 (14)
C19	0.1839 (4)	0.2331 (3)	0.06946 (13)	0.0549 (8)
C20	0.0738 (4)	0.1681 (3)	0.02638 (15)	0.0678 (10)
C21	0.0795 (4)	0.2030 (3)	−0.02401 (15)	0.0683 (10)
C22	0.1943 (4)	0.3022 (3)	−0.03023 (13)	0.0636 (9)
C23	0.2987 (4)	0.3635 (3)	0.01408 (12)	0.0589 (9)
C24	0.9394 (5)	0.4544 (4)	0.08043 (16)	0.0907 (13)
C25	0.7864 (4)	0.4544 (3)	0.10569 (13)	0.0541 (8)
C26	0.9831 (5)	0.3463 (3)	0.21781 (11)	0.0682 (10)
C27	0.9849 (4)	0.3860 (2)	0.27872 (11)	0.0477 (7)
C28	1.0167 (4)	0.3066 (2)	0.31417 (11)	0.0500 (8)
C29	1.0380 (3)	0.3256 (2)	0.37071 (11)	0.0461 (7)
C30	1.0771 (3)	0.2320 (2)	0.40100 (12)	0.0469 (7)
C31	1.0429 (4)	0.1107 (3)	0.37857 (13)	0.0612 (9)
C32	1.0765 (4)	0.0265 (3)	0.40843 (15)	0.0685 (10)
C33	1.1447 (4)	0.0599 (3)	0.46154 (15)	0.0650 (9)
C34	1.1799 (4)	0.1796 (3)	0.48478 (14)	0.0676 (10)
C35	1.1470 (4)	0.2638 (3)	0.45499 (12)	0.0573 (8)
C36	0.9607 (3)	0.6831 (2)	0.28227 (11)	0.0442 (7)
C37	0.9426 (3)	0.7707 (2)	0.24611 (10)	0.0427 (7)
C38	1.0549 (4)	0.8810 (3)	0.25412 (12)	0.0513 (8)
C39	1.0442 (4)	0.9671 (3)	0.22194 (12)	0.0562 (8)
C40	0.9161 (4)	0.9454 (3)	0.18133 (12)	0.0509 (8)
C41	0.8034 (4)	0.8371 (3)	0.17335 (11)	0.0512 (8)
C42	0.8165 (4)	0.7508 (3)	0.20509 (11)	0.0496 (7)
C43	0.7753 (4)	1.0261 (3)	0.11470 (13)	0.0721 (10)
C44	1.1681 (4)	0.6543 (3)	0.48681 (12)	0.0556 (8)
C45	1.2832 (4)	0.7214 (3)	0.52766 (12)	0.0620 (9)
C46	1.3969 (4)	0.8150 (3)	0.51498 (13)	0.0637 (9)
C47	1.3930 (4)	0.8393 (3)	0.46262 (13)	0.0632 (9)
C48	1.2728 (4)	0.7700 (2)	0.42403 (12)	0.0507 (7)
C49	0.5020 (4)	0.5177 (4)	0.41952 (14)	0.0765 (11)
C50	0.6488 (4)	0.5330 (3)	0.38897 (12)	0.0487 (7)
H1A	0.2877	0.5306	0.2902	0.086*
H1B	0.2946	0.6650	0.2859	0.086*
H1C	0.4521	0.6279	0.3036	0.086*
H3	0.3128	0.7248	0.2031	0.059*
H6	0.3393	0.8847	0.1690	0.075*
H7	0.3156	1.0371	0.1216	0.082*
H8	0.3325	1.0166	0.0281	0.080*
H9	0.3645	0.8381	−0.0177	0.079*
H10	0.3882	0.6855	0.0295	0.067*
H13	0.3730	0.2671	0.3147	0.069*
H14	0.3972	0.1194	0.3658	0.078*
H16	0.6671	−0.0040	0.2583	0.083*
H17	0.6362	0.1383	0.2055	0.081*
H18A	0.6077	−0.1640	0.3031	0.148*
H18B	0.6400	−0.1707	0.3656	0.148*
H18C	0.7542	−0.0725	0.3389	0.148*
H19	0.1796	0.2076	0.1035	0.066*
H20	−0.0038	0.1008	0.0318	0.081*
H21	0.0065	0.1601	−0.0535	0.082*
H22	0.2017	0.3278	−0.0642	0.076*
H23	0.3758	0.4316	0.0093	0.071*
H24A	1.0009	0.5355	0.0817	0.136*
H24B	0.9150	0.4158	0.0429	0.136*
H24C	1.0007	0.4119	0.1004	0.136*
H26A	0.8775	0.3380	0.2000	0.102*
H26B	1.0108	0.2706	0.2118	0.102*
H26C	1.0601	0.4050	0.2030	0.102*
H28	1.0241	0.2320	0.2971	0.060*
H31	0.9963	0.0863	0.3425	0.073*
H32	1.0526	−0.0536	0.3924	0.082*
H33	1.1673	0.0030	0.4818	0.078*
H34	1.2263	0.2031	0.5209	0.081*
H35	1.1719	0.3438	0.4712	0.069*
H38	1.1393	0.8970	0.2818	0.062*
H39	1.1222	1.0396	0.2273	0.067*
H41	0.7175	0.8221	0.1463	0.061*
H42	0.7395	0.6778	0.1990	0.060*
H43A	0.7747	0.9681	0.0830	0.108*
H43B	0.7775	1.1023	0.1035	0.108*
H43C	0.6801	1.0005	0.1326	0.108*
H44	1.0919	0.5896	0.4953	0.067*
H45	1.2836	0.7033	0.5632	0.074*
H46	1.4761	0.8618	0.5418	0.076*
H47	1.4705	0.9019	0.4531	0.076*
H48	1.2696	0.7881	0.3885	0.061*
H49A	0.4147	0.5317	0.3972	0.115*
H49B	0.5247	0.5740	0.4530	0.115*
H49C	0.4727	0.4376	0.4279	0.115*
H51	0.4639	0.4304	0.2742	0.058*
H52	0.9117	0.5417	0.2267	0.053*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0718 (3)	0.0420 (2)	0.03564 (19)	0.01017 (17)	0.00930 (16)	−0.00020 (15)
Zn2	0.0508 (2)	0.0423 (2)	0.03640 (18)	0.00991 (15)	0.00333 (14)	−0.00129 (15)
N1	0.0533 (16)	0.0460 (14)	0.0376 (13)	0.0082 (12)	0.0049 (11)	0.0038 (11)
N2	0.0576 (16)	0.0511 (15)	0.0321 (12)	0.0095 (12)	0.0052 (10)	0.0013 (11)
N3	0.0544 (16)	0.0429 (14)	0.0469 (14)	0.0095 (12)	0.0095 (11)	0.0071 (12)
N4	0.0457 (15)	0.0367 (12)	0.0398 (12)	0.0076 (10)	0.0030 (10)	0.0021 (11)
N5	0.0550 (16)	0.0425 (13)	0.0344 (12)	0.0118 (11)	0.0017 (10)	0.0013 (11)
N6	0.0445 (15)	0.0415 (13)	0.0423 (13)	0.0087 (11)	0.0033 (10)	0.0051 (11)
O1	0.0916 (17)	0.0460 (12)	0.0460 (12)	0.0210 (11)	0.0189 (11)	0.0049 (10)
O2	0.119 (2)	0.0456 (12)	0.0336 (11)	0.0132 (12)	0.0088 (11)	0.0013 (10)
O3	0.099 (2)	0.0856 (18)	0.0730 (16)	0.0279 (16)	0.0140 (14)	0.0378 (15)
O4	0.0628 (15)	0.0734 (15)	0.0445 (12)	0.0117 (12)	−0.0030 (10)	−0.0031 (11)
O5	0.0849 (18)	0.1035 (19)	0.0477 (13)	0.0433 (15)	−0.0131 (12)	−0.0229 (13)
O6	0.0838 (17)	0.0451 (12)	0.0464 (11)	0.0216 (11)	0.0042 (10)	0.0015 (10)
O7	0.0799 (16)	0.0440 (11)	0.0385 (11)	0.0140 (10)	−0.0084 (10)	−0.0013 (10)
O8	0.0812 (18)	0.0607 (14)	0.0715 (15)	0.0164 (12)	0.0013 (13)	0.0262 (12)
O9	0.0462 (13)	0.0802 (15)	0.0405 (11)	0.0137 (11)	0.0020 (9)	−0.0037 (11)
O10	0.0547 (15)	0.131 (2)	0.0468 (13)	0.0250 (14)	−0.0031 (10)	−0.0153 (14)
C1	0.062 (2)	0.068 (2)	0.0447 (17)	0.0193 (17)	0.0152 (14)	0.0051 (16)
C2	0.0352 (16)	0.0521 (17)	0.0448 (16)	0.0022 (13)	0.0054 (12)	−0.0027 (14)
C3	0.0482 (19)	0.0500 (17)	0.0479 (17)	0.0124 (14)	0.0066 (13)	0.0011 (15)
C4	0.0463 (18)	0.0401 (16)	0.0495 (17)	0.0029 (13)	0.0037 (13)	−0.0002 (14)
C5	0.0435 (18)	0.0445 (17)	0.0517 (17)	0.0052 (13)	0.0008 (13)	0.0015 (14)
C6	0.077 (2)	0.0517 (19)	0.058 (2)	0.0200 (17)	0.0028 (17)	−0.0012 (17)
C7	0.077 (3)	0.0474 (19)	0.078 (2)	0.0186 (17)	0.0004 (19)	0.0026 (18)
C8	0.062 (2)	0.062 (2)	0.077 (2)	0.0129 (17)	−0.0024 (18)	0.0198 (19)
C9	0.070 (2)	0.072 (2)	0.057 (2)	0.0198 (19)	0.0058 (17)	0.0162 (19)
C10	0.066 (2)	0.0511 (18)	0.0505 (18)	0.0161 (16)	0.0063 (15)	0.0036 (16)
C11	0.058 (2)	0.0464 (17)	0.0407 (16)	0.0021 (14)	0.0045 (13)	0.0035 (14)
C12	0.058 (2)	0.0473 (17)	0.0350 (15)	0.0029 (14)	0.0027 (13)	0.0039 (14)
C13	0.064 (2)	0.068 (2)	0.0432 (17)	0.0223 (17)	0.0082 (14)	0.0100 (16)
C14	0.073 (3)	0.086 (3)	0.0401 (17)	0.019 (2)	0.0126 (15)	0.0202 (18)
C15	0.063 (2)	0.061 (2)	0.054 (2)	0.0057 (17)	−0.0019 (16)	0.0170 (17)
C16	0.087 (3)	0.058 (2)	0.070 (2)	0.0265 (19)	0.021 (2)	0.0122 (19)
C17	0.093 (3)	0.057 (2)	0.056 (2)	0.0169 (19)	0.0298 (18)	0.0112 (17)
C18	0.091 (3)	0.072 (3)	0.140 (4)	0.019 (2)	0.001 (3)	0.047 (3)
C19	0.063 (2)	0.0459 (17)	0.060 (2)	0.0129 (16)	0.0177 (16)	0.0177 (16)
C20	0.057 (2)	0.0477 (19)	0.086 (3)	−0.0083 (16)	0.0085 (18)	0.0034 (19)
C21	0.056 (2)	0.071 (2)	0.066 (2)	0.0079 (18)	−0.0046 (17)	−0.0085 (19)
C22	0.077 (3)	0.062 (2)	0.0487 (18)	0.0118 (19)	0.0022 (16)	0.0090 (17)
C23	0.070 (2)	0.0493 (18)	0.0473 (18)	−0.0041 (16)	0.0094 (15)	0.0056 (15)
C24	0.073 (3)	0.119 (3)	0.093 (3)	0.046 (3)	0.017 (2)	0.019 (3)
C25	0.064 (2)	0.0489 (18)	0.0519 (19)	0.0229 (16)	−0.0003 (16)	0.0038 (16)
C26	0.107 (3)	0.0521 (19)	0.0445 (18)	0.0220 (19)	0.0105 (17)	−0.0022 (16)
C27	0.0518 (19)	0.0416 (16)	0.0439 (16)	0.0041 (14)	0.0058 (13)	−0.0001 (14)
C28	0.065 (2)	0.0342 (15)	0.0478 (17)	0.0095 (14)	0.0085 (14)	−0.0014 (14)
C29	0.0464 (18)	0.0406 (16)	0.0486 (17)	0.0077 (13)	0.0073 (13)	0.0015 (14)
C30	0.0448 (18)	0.0442 (16)	0.0514 (17)	0.0095 (13)	0.0125 (13)	0.0056 (14)
C31	0.079 (3)	0.0448 (17)	0.056 (2)	0.0092 (16)	0.0079 (16)	0.0066 (16)
C32	0.085 (3)	0.0465 (19)	0.075 (2)	0.0169 (18)	0.0134 (19)	0.0111 (18)
C33	0.068 (2)	0.064 (2)	0.074 (2)	0.0266 (18)	0.0171 (18)	0.0279 (19)
C34	0.075 (3)	0.075 (2)	0.057 (2)	0.0283 (19)	−0.0004 (17)	0.0112 (19)
C35	0.063 (2)	0.0535 (19)	0.0561 (19)	0.0188 (16)	0.0050 (15)	0.0044 (16)
C36	0.0430 (17)	0.0456 (16)	0.0399 (15)	0.0070 (13)	0.0011 (12)	0.0011 (14)
C37	0.0478 (18)	0.0438 (16)	0.0342 (14)	0.0117 (13)	0.0005 (12)	−0.0007 (13)
C38	0.0487 (19)	0.0495 (18)	0.0491 (17)	0.0062 (14)	−0.0088 (13)	0.0021 (15)
C39	0.055 (2)	0.0443 (17)	0.062 (2)	0.0019 (15)	0.0014 (15)	0.0041 (16)
C40	0.058 (2)	0.0479 (17)	0.0488 (17)	0.0162 (15)	0.0055 (14)	0.0098 (15)
C41	0.0508 (19)	0.0566 (19)	0.0430 (16)	0.0119 (15)	−0.0050 (13)	0.0039 (15)
C42	0.0496 (19)	0.0471 (17)	0.0460 (16)	0.0034 (14)	−0.0012 (13)	0.0041 (14)
C43	0.088 (3)	0.085 (3)	0.056 (2)	0.041 (2)	0.0057 (18)	0.0242 (19)
C44	0.055 (2)	0.0565 (19)	0.0491 (18)	0.0002 (15)	0.0063 (14)	0.0123 (16)
C45	0.065 (2)	0.072 (2)	0.0438 (17)	0.0072 (18)	−0.0013 (15)	0.0115 (17)
C46	0.063 (2)	0.060 (2)	0.056 (2)	0.0003 (17)	−0.0133 (16)	0.0028 (17)
C47	0.062 (2)	0.0519 (19)	0.064 (2)	−0.0064 (16)	−0.0048 (16)	0.0126 (17)
C48	0.060 (2)	0.0444 (17)	0.0471 (17)	0.0096 (15)	0.0019 (14)	0.0127 (14)
C49	0.056 (2)	0.109 (3)	0.068 (2)	0.023 (2)	0.0142 (17)	0.018 (2)
C50	0.0455 (19)	0.0532 (18)	0.0487 (18)	0.0183 (14)	0.0033 (14)	0.0021 (15)

Geometric parameters (Å, º)

Zn1—N1	2.048 (2)	C16—H16	0.93
Zn1—N3	2.094 (2)	C17—H17	0.93
Zn1—O1	2.025 (2)	C18—H18A	0.96
Zn1—O2	2.173 (2)	C18—H18B	0.96
Zn1—O4	2.015 (2)	C18—H18C	0.96
Zn2—N4	2.043 (2)	C19—C20	1.381 (4)
Zn2—N6	2.100 (2)	C19—H19	0.93
Zn2—O6	2.012 (2)	C20—C21	1.362 (5)
Zn2—O7	2.162 (2)	C20—H20	0.93
Zn2—O9	1.966 (2)	C21—C22	1.360 (5)
N1—C2	1.320 (3)	C21—H21	0.93
N4—C27	1.315 (3)	C22—C23	1.366 (4)
O1—C4	1.288 (3)	C22—H22	0.93
O2—C11	1.248 (3)	C23—H23	0.93
O6—C29	1.284 (3)	C24—C25	1.491 (5)
O7—C36	1.257 (3)	C24—H24A	0.96
C3—C4	1.387 (4)	C24—H24B	0.96
C28—C29	1.378 (4)	C24—H24C	0.96
N1—N2	1.395 (3)	C26—C27	1.511 (4)
N2—C11	1.338 (3)	C26—H26A	0.96
N4—N5	1.391 (3)	C26—H26B	0.96
N5—C36	1.339 (3)	C26—H26C	0.96
N2—H51	0.86	C27—C28	1.415 (4)
N3—C19	1.332 (4)	C28—H28	0.93
N3—C23	1.339 (4)	C29—C30	1.490 (4)
N5—H52	0.86	C30—C31	1.398 (4)
N6—C44	1.336 (3)	C30—C35	1.390 (4)
N6—C48	1.330 (4)	C31—C32	1.374 (4)
O3—C15	1.369 (4)	C31—H31	0.93
O3—C18	1.424 (4)	C32—C33	1.367 (4)
O4—C25	1.259 (3)	C32—H32	0.93
O5—C25	1.229 (3)	C33—C34	1.385 (4)
O8—C40	1.375 (4)	C33—H33	0.93
O8—C43	1.426 (4)	C34—C35	1.372 (4)
O9—C50	1.265 (3)	C34—H34	0.93
O10—C50	1.226 (3)	C35—H35	0.93
C1—C2	1.502 (4)	C36—C37	1.471 (4)
C1—H1A	0.96	C37—C38	1.390 (4)
C1—H1B	0.96	C37—C42	1.388 (4)
C1—H1C	0.96	C38—C39	1.376 (4)
C2—C3	1.403 (4)	C38—H38	0.93
C3—H3	0.93	C39—C40	1.391 (4)
C4—C5	1.496 (4)	C39—H39	0.93
C5—C6	1.395 (4)	C40—C41	1.374 (4)
C5—C10	1.381 (4)	C41—C42	1.375 (4)
C6—C7	1.377 (4)	C41—H41	0.93
C6—H6	0.93	C42—H42	0.93
C7—C8	1.373 (5)	C43—H43A	0.96
C7—H7	0.93	C43—H43B	0.96
C8—C9	1.378 (4)	C43—H43C	0.96
C8—H8	0.93	C44—C45	1.376 (4)
C9—C10	1.377 (4)	C44—H44	0.9300
C9—H9	0.93	C45—C46	1.364 (4)
C10—H10	0.93	C45—H45	0.93
C11—C12	1.481 (4)	C46—C47	1.361 (4)
C12—C13	1.388 (4)	C46—H46	0.93
C12—C17	1.388 (4)	C47—C48	1.374 (4)
C13—C14	1.385 (4)	C47—H47	0.93
C13—H13	0.93	C48—H48	0.93
C14—C15	1.373 (5)	C49—C50	1.498 (4)
C14—H14	0.93	C49—H49A	0.96
C15—C16	1.373 (4)	C49—H49B	0.96
C16—C17	1.376 (5)	C49—H49C	0.96
N1—Zn1—N3	122.9 (1)	C16—C17—H17	119.0
N1—Zn1—O2	75.94 (8)	C17—C12—C11	119.2 (3)
N3—Zn1—O2	91.40 (9)	C17—C16—H16	120.1
N4—Zn2—N6	135.00 (9)	C19—N3—Zn1	126.3 (2)
N4—Zn2—O7	75.86 (8)	C19—N3—C23	116.7 (3)
N6—Zn2—O7	87.32 (8)	C19—C20—H20	120.2
O1—Zn1—N1	87.51 (9)	C20—C19—H19	118.8
O1—Zn1—N3	93.24 (9)	C20—C21—H21	120.8
O1—Zn1—O2	162.62 (8)	C21—C20—C19	119.6 (3)
O4—Zn1—N1	143.50 (9)	C21—C20—H20	120.2
O4—Zn1—N3	93.10 (9)	C21—C22—C23	119.2 (3)
O4—Zn1—O1	96.91 (9)	C21—C22—H22	120.4
O4—Zn1—O2	99.56 (9)	C22—C21—C20	118.5 (3)
O6—Zn2—N4	88.92 (8)	C22—C21—H21	120.8
O6—Zn2—N6	90.05 (9)	C22—C23—H23	118.2
O6—Zn2—O7	155.27 (9)	C23—N3—Zn1	116.8 (2)
O9—Zn2—N4	122.66 (8)	C23—C22—H22	120.4
O9—Zn2—N6	101.90 (8)	C25—O4—Zn1	106.8 (2)
O9—Zn2—O6	99.12 (9)	C25—C24—H24A	109.5
O9—Zn2—O7	105.49 (9)	C25—C24—H24B	109.5
N1—N2—H51	122.1	C25—C24—H24C	109.5
N1—C2—C3	121.5 (3)	C27—N4—N5	118.7 (2)
N1—C2—C1	120.0 (3)	C27—N4—Zn2	128.3 (2)
N2—N1—Zn1	113.0 (2)	C27—C26—H26A	109.5
N2—C11—C12	117.6 (2)	C27—C26—H26B	109.5
N3—C19—C20	122.5 (3)	C27—C26—H26C	109.5
N3—C19—H19	118.8	C27—C28—H28	115.8
N3—C23—C22	123.6 (3)	C28—C27—C26	117.1 (3)
N3—C23—H23	118.2	C28—C29—C30	120.5 (2)
N4—N5—H52	121.8	C29—O6—Zn2	128.3 (2)
N4—C27—C28	121.5 (2)	C29—C28—C27	128.3 (3)
N4—C27—C26	121.4 (3)	C29—C28—H28	115.8
N5—N4—Zn2	112.8 (2)	C30—C31—H31	119.2
N5—C36—C37	120.1 (2)	C30—C35—H35	119.3
N6—C44—C45	122.8 (3)	C31—C30—C29	123.4 (3)
N6—C44—H44	118.6	C31—C32—H32	119.8
N6—C48—C47	122.6 (3)	C32—C31—C30	121.7 (3)
N6—C48—H48	118.7	C32—C31—H31	119.2
O1—C4—C3	124.6 (3)	C32—C33—C34	119.2 (3)
O1—C4—C5	114.8 (3)	C32—C33—H33	120.4
O2—C11—N2	121.2 (3)	C33—C32—C31	120.4 (3)
O2—C11—C12	121.2 (3)	C33—C32—H32	119.8
O3—C15—C14	116.1 (3)	C33—C34—H34	119.7
O3—C15—C16	124.7 (3)	C34—C35—C30	121.3 (3)
O3—C18—H18A	109.5	C34—C33—H33	120.4
O3—C18—H18B	109.5	C34—C35—H35	119.3
O3—C18—H18C	109.5	C35—C30—C31	116.9 (3)
O4—C25—C24	118.7 (3)	C35—C30—C29	119.7 (3)
O5—C25—O4	119.9 (3)	C35—C34—C33	120.6 (3)
O5—C25—C24	121.3 (3)	C35—C34—H34	119.7
O6—C29—C28	124.6 (3)	C36—N5—N4	116.4 (2)
O6—C29—C30	114.9 (2)	C36—N5—H52	121.8
O7—C36—N5	119.8 (3)	C36—O7—Zn2	112.0 (2)
O7—C36—C37	120.1 (2)	C37—C38—H38	119.3
O8—C40—C39	115.6 (3)	C37—C42—H42	119.4
O8—C43—H43A	109.5	C38—C37—C36	118.6 (2)
O8—C43—H43B	109.5	C38—C39—C40	119.7 (3)
O8—C43—H43C	109.5	C38—C39—H39	120.1
O9—C50—C49	117.1 (3)	C39—C38—C37	121.5 (3)
O10—C50—O9	122.3 (3)	C39—C38—H38	119.3
O10—C50—C49	120.5 (3)	C40—O8—C43	117.9 (3)
C2—N1—N2	118.1 (2)	C40—C39—H39	120.1
C2—N1—Zn1	128.9 (2)	C40—C41—H41	119.7
C2—C1—H1A	109.5	C41—C40—O8	125.0 (3)
C2—C1—H1B	109.5	C41—C40—C39	119.4 (3)
C2—C1—H1C	109.5	C41—C42—C37	121.2 (3)
C2—C3—H3	116.2	C41—C42—H42	119.4
C3—C2—C1	118.5 (3)	C42—C37—C36	123.6 (3)
C3—C4—C5	120.5 (3)	C42—C37—C38	117.7 (3)
C4—O1—Zn1	128.1 (2)	C42—C41—C40	120.5 (3)
C4—C3—C2	127.6 (3)	C42—C41—H41	119.7
C4—C3—H3	116.2	C44—N6—Zn2	118.2 (2)
C5—C6—H6	119.3	C44—C45—H45	120.7
C5—C10—H10	119.2	C45—C44—H44	118.6
C6—C5—C4	123.7 (3)	C45—C46—H46	120.4
C6—C7—H7	119.8	C46—C45—C44	118.6 (3)
C7—C6—C5	121.5 (3)	C46—C45—H45	120.7
C7—C6—H6	119.3	C46—C47—C48	119.1 (3)
C7—C8—C9	118.9 (3)	C46—C47—H47	120.4
C7—C8—H8	120.5	C47—C46—C45	119.3 (3)
C8—C7—C6	120.4 (3)	C47—C46—H46	120.4
C8—C7—H7	119.8	C47—C48—H48	118.7
C8—C9—H9	119.7	C48—N6—C44	117.6 (2)
C9—C8—H8	120.5	C48—N6—Zn2	124.3 (2)
C9—C10—C5	121.6 (3)	C48—C47—H47	120.4
C9—C10—H10	119.2	C50—O9—Zn2	116.9 (2)
C10—C5—C4	119.1 (3)	C50—C49—H49A	109.5
C10—C5—C6	117.0 (3)	C50—C49—H49B	109.5
C10—C9—C8	120.6 (3)	C50—C49—H49C	109.5
C10—C9—H9	119.7	H1A—C1—H1B	109.5
C11—N2—N1	115.8 (2)	H1A—C1—H1C	109.5
C11—N2—H51	122.1	H1B—C1—H1C	109.5
C11—O2—Zn1	111.5 (2)	H18A—C18—H18B	109.5
C12—C13—H13	119.8	H18A—C18—H18C	109.5
C12—C17—H17	119.0	H18B—C18—H18C	109.5
C13—C12—C17	117.5 (3)	H24A—C24—H24B	109.5
C13—C12—C11	123.2 (3)	H24A—C24—H24C	109.5
C13—C14—H14	119.5	H24B—C24—H24C	109.5
C14—C13—C12	120.3 (3)	H26A—C26—H26B	109.5
C14—C13—H13	119.8	H26A—C26—H26C	109.5
C14—C15—C16	119.2 (3)	H26B—C26—H26C	109.5
C15—O3—C18	118.0 (3)	H43A—C43—H43B	109.5
C15—C14—C13	121.1 (3)	H43A—C43—H43C	109.5
C15—C14—H14	119.5	H43B—C43—H43C	109.5
C15—C16—C17	119.8 (3)	H49A—C49—H49B	109.5
C15—C16—H16	120.1	H49A—C49—H49C	109.5
C16—C17—C12	122.0 (3)	H49B—C49—H49C	109.5
Zn1—N1—N2—C11	−11.6 (3)	O6—Zn2—N4—C27	−0.4 (2)
Zn1—N1—C2—C3	−4.2 (4)	O6—Zn2—N6—C44	−48.9 (2)
Zn1—N1—C2—C1	176.4 (2)	O6—Zn2—N6—C48	130.7 (2)
Zn1—N3—C19—C20	−175.7 (2)	O6—Zn2—O7—C36	68.9 (3)
Zn1—N3—C23—C22	175.4 (3)	O6—Zn2—O9—C50	−103.5 (2)
Zn1—O1—C4—C3	11.2 (4)	O6—C29—C30—C31	158.9 (3)
Zn1—O1—C4—C5	−171.2 (2)	O6—C29—C30—C35	−19.2 (4)
Zn1—O2—C11—N2	12.2 (4)	O7—Zn2—N4—C27	159.9 (3)
Zn1—O2—C11—C12	−170.2 (2)	O7—Zn2—N4—N5	−14.3 (2)
Zn1—O4—C25—O5	0.8 (4)	O7—Zn2—N6—C44	155.7 (2)
Zn1—O4—C25—C24	−179.6 (3)	O7—Zn2—N6—C48	−24.7 (2)
Zn2—N4—N5—C36	12.7 (3)	O7—Zn2—O6—C29	−53.7 (3)
Zn2—N4—C27—C28	3.2 (4)	O7—Zn2—O9—C50	74.1 (2)
Zn2—N4—C27—C26	−175.0 (2)	O7—C36—C37—C42	−138.0 (3)
Zn2—N6—C44—C45	−179.2 (2)	O7—C36—C37—C38	40.2 (4)
Zn2—N6—C48—C47	−179.5 (2)	O8—C40—C41—C42	179.7 (3)
Zn2—O6—C29—C28	2.3 (4)	O9—Zn2—N4—N5	85.2 (2)
Zn2—O6—C29—C30	−178.8 (2)	O9—Zn2—N4—C27	−100.5 (3)
Zn2—O7—C36—N5	−13.7 (3)	O9—Zn2—N6—C44	50.5 (2)
Zn2—O7—C36—C37	169.1 (2)	O9—Zn2—N6—C48	−129.9 (2)
Zn2—O9—C50—O10	−9.2 (4)	O9—Zn2—O6—C29	120.6 (2)
Zn2—O9—C50—C49	172.0 (2)	O9—Zn2—O7—C36	−105.2 (2)
N1—Zn1—N3—C19	−49.4 (3)	C1—C2—C3—C4	174.3 (3)
N1—Zn1—N3—C23	135.6 (2)	C2—N1—N2—C11	165.4 (3)
N1—Zn1—O1—C4	−14.3 (2)	C2—C3—C4—O1	1.5 (5)
N1—Zn1—O2—C11	−13.6 (2)	C2—C3—C4—C5	−176.0 (3)
N1—Zn1—O4—C25	0.7 (3)	C3—C4—C5—C10	−168.3 (3)
N1—N2—C11—O2	−1.0 (4)	C3—C4—C5—C6	15.3 (4)
N1—N2—C11—C12	−178.7 (2)	C4—C5—C6—C7	176.3 (3)
N1—C2—C3—C4	−5.1 (5)	C4—C5—C10—C9	−176.4 (3)
N2—N1—C2—C1	−0.1 (4)	C5—C6—C7—C8	−0.4 (5)
N2—N1—C2—C3	179.3 (2)	C6—C5—C10—C9	0.3 (5)
N2—C11—C12—C13	32.2 (4)	C6—C7—C8—C9	1.1 (5)
N2—C11—C12—C17	−150.7 (3)	C7—C8—C9—C10	−1.1 (5)
N3—Zn1—N1—N2	95.32 (19)	C8—C9—C10—C5	0.4 (5)
N3—Zn1—N1—C2	−81.3 (3)	C10—C5—C6—C7	−0.3 (5)
N3—Zn1—O1—C4	108.6 (2)	C11—C12—C13—C14	175.7 (3)
N3—Zn1—O2—C11	−137.3 (2)	C11—C12—C17—C16	−177.0 (3)
N3—Zn1—O4—C25	−170.5 (2)	C12—C13—C14—C15	2.4 (5)
N3—C19—C20—C21	0.8 (5)	C13—C12—C17—C16	0.3 (5)
N4—Zn2—N6—C44	−137.4 (2)	C13—C14—C15—O3	180.0 (3)
N4—Zn2—N6—C48	42.2 (3)	C13—C14—C15—C16	−2.1 (5)
N4—Zn2—O6—C29	−2.4 (3)	C14—C15—C16—C17	0.8 (5)
N4—Zn2—O7—C36	15.3 (2)	C15—C16—C17—C12	0.0 (5)
N4—Zn2—O9—C50	−8.9 (3)	C17—C12—C13—C14	−1.5 (5)
N4—N5—C36—O7	1.3 (4)	C18—O3—C15—C14	−176.3 (3)
N4—N5—C36—C37	178.4 (2)	C18—O3—C15—C16	5.8 (5)
N4—C27—C28—C29	−4.1 (5)	C19—N3—C23—C22	−0.1 (5)
N5—N4—C27—C28	177.1 (3)	C19—C20—C21—C22	−0.2 (5)
N5—N4—C27—C26	−1.0 (4)	C20—C21—C22—C23	−0.5 (5)
N5—C36—C37—C38	−137.0 (3)	C21—C22—C23—N3	0.7 (5)
N5—C36—C37—C42	44.8 (4)	C23—N3—C19—C20	−0.7 (4)
N6—Zn2—N4—N5	−85.6 (2)	C26—C27—C28—C29	174.1 (3)
N6—Zn2—N4—C27	88.6 (3)	C27—N4—N5—C36	−162.1 (3)
N6—Zn2—O6—C29	−137.4 (3)	C27—C28—C29—O6	1.3 (5)
N6—Zn2—O7—C36	153.2 (2)	C27—C28—C29—C30	−177.6 (3)
N6—Zn2—O9—C50	164.6 (2)	C28—C29—C30—C35	159.8 (3)
N6—C44—C45—C46	−1.2 (5)	C28—C29—C30—C31	−22.1 (5)
O1—Zn1—N1—N2	−172.4 (2)	C29—C30—C31—C32	−178.0 (3)
O1—Zn1—N1—C2	10.9 (2)	C29—C30—C35—C34	177.9 (3)
O1—Zn1—N3—C19	−138.5 (2)	C30—C31—C32—C33	0.1 (6)
O1—Zn1—N3—C23	46.5 (2)	C31—C30—C35—C34	−0.3 (5)
O1—Zn1—O2—C11	−31.8 (4)	C31—C32—C33—C34	−0.2 (6)
O1—Zn1—O4—C25	95.9 (2)	C32—C33—C34—C35	0.0 (6)
O1—C4—C5—C6	−162.5 (3)	C33—C34—C35—C30	0.3 (5)
O1—C4—C5—C10	14.0 (4)	C35—C30—C31—C32	0.1 (5)
O2—Zn1—N1—N2	12.91 (17)	C36—C37—C38—C39	−179.6 (3)
O2—Zn1—N1—C2	−163.7 (3)	C36—C37—C42—C41	178.4 (3)
O2—Zn1—N3—C19	24.7 (3)	C37—C38—C39—C40	1.7 (5)
O2—Zn1—N3—C23	−150.2 (2)	C38—C37—C42—C41	0.2 (4)
O2—Zn1—O1—C4	3.3 (5)	C38—C39—C40—C41	−1.0 (5)
O2—Zn1—O4—C25	−78.5 (2)	C38—C39—C40—O8	179.2 (3)
O2—C11—C12—C13	−145.5 (3)	C39—C40—C41—C42	0.0 (5)
O2—C11—C12—C17	31.6 (5)	C40—C41—C42—C37	0.5 (5)
O3—C15—C16—C17	178.6 (3)	C42—C37—C38—C39	−1.3 (4)
O4—Zn1—N1—N2	−74.2 (2)	C43—O8—C40—C41	8.5 (5)
O4—Zn1—N1—C2	109.2 (3)	C43—O8—C40—C39	−171.8 (3)
O4—Zn1—N3—C19	124.4 (2)	C44—N6—C48—C47	0.1 (4)
O4—Zn1—N3—C23	−50.6 (2)	C44—C45—C46—C47	0.1 (5)
O4—Zn1—O1—C4	−157.9 (2)	C45—C46—C47—C48	1.1 (5)
O4—Zn1—O2—C11	129.3 (2)	C46—C47—C48—N6	−1.3 (5)
O6—Zn2—N4—N5	−174.6 (2)	C48—N6—C44—C45	1.1 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H51···O10	0.86	2.06	2.754 (3)	138
N5—H52···O5	0.86	1.96	2.787 (3)	162