Bis(1-naphthyl­acetato-κ²O,O)(1,10-phenanthroline-κ²N,N)zinc(II)

In the crystal structure of the title compound, [Zn(C₁₂H₉O₂)₂(C₁₂H₈N₂)], there are two molecules in the asymmetric unit. The molecules are linked into a sandwiched sheet by six C—H...O hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.082
• wR factor = 0.276
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found



Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.276
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.99
PLAT084_ALERT_2_C High R2 Value ..................................       0.28
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.13
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12
PLAT480_ALERT_4_C Long H...A H-Bond Reported H44    ..  O3      ..       2.70 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H68    ..  O8      ..       2.67 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H32    ..  O2      ..       2.68 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Bis(1-naphthylacetato-κ²O,O)(1,10-phenanthroline-κ²N,N)zinc(II)

Crystal data

[Zn(C12H9O2)2(C12H8N2)]	Z = 4
Mr = 615.96	F(000) = 1272
Triclinic, P1	Dx = 1.450 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 12.964 (6) Å	Cell parameters from 2620 reflections
b = 13.055 (6) Å	θ = 2.2–22.2°
c = 17.128 (8) Å	µ = 0.92 mm^−1
α = 89.403 (8)°	T = 298 K
β = 77.192 (7)°	Block, white
γ = 86.657 (9)°	0.38 × 0.34 × 0.30 mm
V = 2822 (2) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	9785 independent reflections
Radiation source: fine-focus sealed tube	4949 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
φ and ω scans	θmax = 25.0°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −13→15
Tmin = 0.722, Tmax = 0.771	k = −12→15
14796 measured reflections	l = −18→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)] = 0.082	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.276	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.1469P)^2 + 0.4533P] where P = (Fo^2 + 2Fc^2)/3
9785 reflections	(Δ/σ)max = 0.001
763 parameters	Δρmax = 1.53 e Å^−3
1988 restraints	Δρmin = −0.72 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	0.34601 (7)	0.25975 (7)	0.46256 (5)	0.0514 (3)
Zn2	0.87993 (7)	0.22915 (7)	0.96617 (5)	0.0505 (3)
N1	0.4905 (4)	0.2832 (5)	0.4952 (3)	0.0476 (15)
N2	0.4361 (5)	0.1236 (5)	0.4182 (3)	0.0552 (17)
N3	1.0264 (5)	0.2047 (5)	0.9992 (3)	0.0497 (15)
N4	0.9562 (5)	0.3615 (5)	0.9202 (3)	0.0482 (15)
O1	0.2563 (4)	0.3812 (4)	0.5499 (3)	0.0587 (13)
O2	0.2579 (4)	0.2159 (4)	0.5720 (3)	0.0539 (12)
O3	0.2335 (4)	0.2339 (5)	0.3772 (3)	0.0701 (11)
O4	0.3529 (4)	0.3466 (5)	0.3599 (3)	0.0711 (15)
O5	0.7434 (5)	0.2698 (5)	0.8834 (3)	0.0773 (12)
O6	0.8676 (5)	0.1455 (5)	0.8720 (3)	0.0752 (15)
O7	0.8103 (4)	0.1108 (4)	1.0576 (3)	0.0626 (14)
O8	0.7861 (4)	0.2769 (4)	1.0750 (3)	0.0515 (12)
C1	0.2316 (6)	0.3086 (6)	0.5945 (4)	0.0497 (16)
C2	0.1674 (6)	0.3262 (6)	0.6796 (4)	0.0519 (16)
H2A	0.1770	0.3953	0.6959	0.062*
H2B	0.0930	0.3216	0.6797	0.062*
C3	0.1958 (6)	0.2522 (6)	0.7402 (4)	0.0521 (16)
C4	0.1304 (7)	0.1736 (6)	0.7679 (5)	0.0619 (18)
H4	0.0676	0.1684	0.7508	0.074*
C5	0.1593 (7)	0.1009 (7)	0.8223 (5)	0.068 (2)
H5	0.1144	0.0486	0.8405	0.082*
C6	0.2491 (7)	0.1049 (7)	0.8483 (5)	0.0666 (19)
H6	0.2656	0.0555	0.8838	0.080*
C7	0.3177 (7)	0.1824 (6)	0.8227 (4)	0.0591 (17)
C8	0.4134 (7)	0.1950 (7)	0.8498 (5)	0.0678 (19)
H8	0.4328	0.1470	0.8853	0.081*
C9	0.4754 (7)	0.2718 (7)	0.8266 (5)	0.070 (2)
H9	0.5349	0.2788	0.8475	0.084*
C10	0.4509 (7)	0.3433 (7)	0.7697 (5)	0.070 (2)
H10	0.4966	0.3949	0.7511	0.084*
C11	0.3613 (6)	0.3368 (6)	0.7424 (5)	0.0603 (17)
H11	0.3457	0.3855	0.7061	0.072*
C12	0.2902 (6)	0.2578 (6)	0.7675 (4)	0.0532 (16)
C13	0.2818 (7)	0.3026 (8)	0.3381 (5)	0.0701 (11)
C14	0.2559 (6)	0.3333 (7)	0.2576 (4)	0.0675 (19)
H14A	0.2144	0.2811	0.2417	0.081*
H14B	0.2125	0.3971	0.2647	0.081*
C15	0.3532 (6)	0.3472 (7)	0.1904 (5)	0.0636 (17)
C16	0.3847 (7)	0.4427 (7)	0.1647 (5)	0.0696 (19)
H16	0.3468	0.5006	0.1896	0.084*
C17	0.4723 (7)	0.4547 (8)	0.1022 (5)	0.074 (2)
H17	0.4935	0.5203	0.0874	0.089*
C18	0.5267 (7)	0.3731 (7)	0.0629 (5)	0.0689 (19)
H18	0.5844	0.3827	0.0208	0.083*
C19	0.4968 (6)	0.2733 (7)	0.0852 (4)	0.0564 (17)
C20	0.5494 (7)	0.1881 (7)	0.0438 (5)	0.0650 (18)
H20	0.6023	0.1973	−0.0018	0.078*
C21	0.5254 (7)	0.0911 (8)	0.0684 (5)	0.070 (2)
H21	0.5630	0.0351	0.0403	0.084*
C22	0.4461 (7)	0.0755 (8)	0.1343 (5)	0.073 (2)
H22	0.4311	0.0091	0.1515	0.088*
C23	0.3889 (7)	0.1577 (7)	0.1749 (5)	0.0664 (17)
H23	0.3341	0.1460	0.2187	0.080*
C24	0.4111 (6)	0.2607 (7)	0.1517 (4)	0.0571 (16)
C25	0.5158 (6)	0.3604 (7)	0.5338 (5)	0.0619 (18)
H25	0.4645	0.4132	0.5504	0.074*
C26	0.6139 (7)	0.3686 (7)	0.5516 (5)	0.068 (2)
H26	0.6284	0.4258	0.5783	0.081*
C27	0.6899 (7)	0.2896 (7)	0.5286 (5)	0.0671 (18)
H27	0.7563	0.2924	0.5405	0.080*
C28	0.6665 (6)	0.2062 (7)	0.4879 (5)	0.0617 (18)
C29	0.5661 (6)	0.2054 (6)	0.4713 (4)	0.0512 (16)
C30	0.5365 (6)	0.1207 (6)	0.4305 (4)	0.0528 (16)
C31	0.6125 (7)	0.0398 (6)	0.4035 (5)	0.0617 (18)
C32	0.5784 (7)	−0.0424 (7)	0.3648 (5)	0.069 (2)
H32	0.6246	−0.0989	0.3476	0.083*
C33	0.4788 (8)	−0.0393 (7)	0.3526 (5)	0.072 (2)
H33	0.4572	−0.0926	0.3255	0.086*
C34	0.4080 (7)	0.0444 (7)	0.3808 (5)	0.0659 (19)
H34	0.3392	0.0445	0.3731	0.079*
C35	0.7408 (7)	0.1210 (7)	0.4588 (5)	0.0686 (19)
H35	0.8088	0.1210	0.4682	0.082*
C36	0.7158 (7)	0.0429 (7)	0.4192 (5)	0.069 (2)
H36	0.7661	−0.0104	0.4014	0.083*
C37	0.7912 (8)	0.1913 (9)	0.8512 (5)	0.0773 (12)
C38	0.7561 (7)	0.1447 (8)	0.7794 (5)	0.080 (2)
H38A	0.7308	0.0771	0.7941	0.096*
H38B	0.6975	0.1872	0.7678	0.096*
C39	0.8420 (7)	0.1356 (8)	0.7062 (5)	0.0723 (18)
C40	0.8845 (9)	0.0397 (9)	0.6840 (6)	0.095 (2)
H40	0.8573	−0.0162	0.7142	0.114*
C41	0.9643 (9)	0.0231 (10)	0.6197 (7)	0.105 (3)
H41	0.9911	−0.0438	0.6072	0.126*
C42	1.0044 (9)	0.0955 (10)	0.5754 (6)	0.095 (2)
H42	1.0608	0.0798	0.5324	0.114*
C43	0.9667 (8)	0.1992 (9)	0.5888 (6)	0.087 (2)
C44	1.0063 (10)	0.2738 (10)	0.5430 (7)	0.106 (2)
H44	1.0622	0.2615	0.4991	0.128*
C45	0.9642 (10)	0.3694 (10)	0.5608 (6)	0.103 (3)
H45	0.9927	0.4208	0.5260	0.124*
C46	0.8845 (10)	0.4003 (10)	0.6245 (7)	0.111 (3)
H46	0.8611	0.4689	0.6325	0.133*
C47	0.8373 (9)	0.3211 (9)	0.6793 (6)	0.094 (2)
H47	0.7833	0.3362	0.7240	0.113*
C48	0.8776 (7)	0.2206 (8)	0.6607 (5)	0.0723 (18)
C49	0.7737 (6)	0.1874 (6)	1.0996 (4)	0.0479 (16)
C50	0.7072 (6)	0.1706 (6)	1.1832 (4)	0.0512 (16)
H50A	0.6349	0.1615	1.1790	0.061*
H50B	0.7334	0.1072	1.2040	0.061*
C51	0.7058 (5)	0.2554 (6)	1.2431 (4)	0.0460 (15)
C52	0.6166 (6)	0.3168 (6)	1.2685 (4)	0.0518 (16)
H52	0.5568	0.3058	1.2489	0.062*
C53	0.6126 (6)	0.3961 (6)	1.3237 (4)	0.0548 (17)
H53	0.5502	0.4364	1.3410	0.066*
C54	0.6993 (6)	0.4141 (6)	1.3516 (4)	0.0537 (17)
H54	0.6962	0.4678	1.3874	0.064*
C55	0.7953 (6)	0.3527 (6)	1.3277 (4)	0.0482 (15)
C56	0.8837 (6)	0.3693 (7)	1.3580 (5)	0.0614 (18)
H56	0.8814	0.4228	1.3940	0.074*
C57	0.9732 (7)	0.3079 (7)	1.3356 (5)	0.0657 (19)
H57	1.0313	0.3183	1.3574	0.079*
C58	0.9789 (6)	0.2300 (7)	1.2804 (5)	0.069 (2)
H58	1.0418	0.1901	1.2643	0.082*
C59	0.8940 (6)	0.2106 (6)	1.2489 (4)	0.0556 (16)
H59	0.8989	0.1572	1.2126	0.067*
C60	0.7979 (5)	0.2722 (6)	1.2718 (4)	0.0458 (15)
C61	1.0593 (6)	0.1247 (6)	1.0378 (4)	0.0558 (17)
H61	1.0165	0.0695	1.0504	0.067*
C62	1.1564 (7)	0.1222 (7)	1.0596 (5)	0.066 (2)
H62	1.1775	0.0658	1.0871	0.080*
C63	1.2203 (7)	0.2012 (7)	1.0412 (5)	0.0619 (18)
H63	1.2854	0.1989	1.0557	0.074*
C64	1.1883 (6)	0.2864 (6)	1.0003 (4)	0.0563 (17)
C65	1.0889 (6)	0.2842 (6)	0.9807 (4)	0.0463 (15)
C66	1.0526 (6)	0.3682 (6)	0.9364 (4)	0.0494 (16)
C67	1.1172 (6)	0.4508 (6)	0.9145 (4)	0.0571 (17)
C68	1.0781 (7)	0.5296 (7)	0.8714 (5)	0.0631 (19)
H68	1.1181	0.5861	0.8553	0.076*
C69	0.9818 (7)	0.5242 (7)	0.8528 (5)	0.068 (2)
H69	0.9565	0.5759	0.8229	0.081*
C70	0.9208 (7)	0.4394 (6)	0.8792 (5)	0.0640 (19)
H70	0.8540	0.4372	0.8680	0.077*
C71	1.2487 (6)	0.3738 (7)	0.9786 (5)	0.0643 (18)
H71	1.3130	0.3773	0.9937	0.077*
C72	1.2148 (6)	0.4518 (7)	0.9365 (5)	0.0635 (19)
H72	1.2570	0.5071	0.9220	0.076*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0468 (5)	0.0678 (7)	0.0375 (5)	0.0033 (4)	−0.0063 (4)	−0.0033 (4)
Zn2	0.0469 (5)	0.0671 (7)	0.0368 (5)	−0.0113 (4)	−0.0061 (4)	0.0061 (4)
N1	0.043 (3)	0.055 (4)	0.038 (3)	0.004 (3)	0.001 (3)	−0.003 (3)
N2	0.069 (4)	0.062 (5)	0.033 (3)	0.002 (3)	−0.009 (3)	−0.008 (3)
N3	0.054 (4)	0.055 (4)	0.039 (3)	−0.004 (3)	−0.006 (3)	0.003 (3)
N4	0.049 (4)	0.055 (4)	0.038 (3)	−0.002 (3)	−0.005 (3)	0.009 (3)
O1	0.065 (3)	0.058 (3)	0.050 (3)	−0.003 (2)	−0.007 (2)	0.000 (2)
O2	0.057 (3)	0.054 (3)	0.049 (3)	−0.001 (2)	−0.007 (2)	−0.005 (2)
O3	0.055 (2)	0.101 (3)	0.057 (2)	0.002 (2)	−0.0212 (16)	0.007 (2)
O4	0.061 (3)	0.100 (4)	0.049 (3)	0.006 (3)	−0.008 (2)	0.005 (3)
O5	0.066 (3)	0.113 (3)	0.060 (3)	−0.016 (2)	−0.0265 (18)	0.003 (2)
O6	0.080 (3)	0.100 (4)	0.053 (3)	−0.035 (3)	−0.023 (3)	0.010 (3)
O7	0.075 (3)	0.057 (3)	0.050 (3)	−0.016 (3)	0.004 (2)	−0.010 (2)
O8	0.056 (3)	0.054 (3)	0.044 (2)	−0.010 (2)	−0.007 (2)	0.010 (2)
C1	0.050 (3)	0.056 (4)	0.045 (3)	−0.002 (3)	−0.012 (3)	−0.001 (3)
C2	0.054 (3)	0.055 (4)	0.045 (3)	0.002 (3)	−0.008 (3)	−0.008 (3)
C3	0.059 (3)	0.053 (3)	0.041 (3)	−0.008 (3)	−0.002 (3)	−0.006 (3)
C4	0.067 (4)	0.064 (4)	0.050 (3)	−0.012 (3)	0.000 (3)	−0.006 (3)
C5	0.083 (4)	0.057 (4)	0.055 (4)	−0.015 (4)	0.010 (4)	−0.008 (3)
C6	0.086 (4)	0.060 (4)	0.048 (3)	0.000 (4)	−0.003 (3)	−0.002 (3)
C7	0.069 (4)	0.058 (4)	0.044 (3)	0.005 (3)	−0.002 (3)	−0.009 (3)
C8	0.081 (4)	0.069 (4)	0.052 (4)	0.015 (4)	−0.015 (3)	−0.003 (3)
C9	0.065 (4)	0.085 (5)	0.062 (4)	0.010 (4)	−0.019 (4)	−0.007 (4)
C10	0.065 (4)	0.079 (5)	0.068 (4)	−0.007 (4)	−0.017 (4)	0.001 (4)
C11	0.061 (3)	0.067 (4)	0.054 (3)	−0.006 (3)	−0.015 (3)	0.005 (3)
C12	0.064 (3)	0.054 (3)	0.038 (3)	0.000 (3)	−0.006 (3)	−0.003 (3)
C13	0.055 (2)	0.101 (3)	0.057 (2)	0.002 (2)	−0.0212 (16)	0.007 (2)
C14	0.051 (4)	0.101 (5)	0.051 (4)	0.008 (4)	−0.017 (3)	0.007 (4)
C15	0.061 (3)	0.089 (4)	0.046 (3)	−0.006 (3)	−0.025 (3)	0.009 (3)
C16	0.070 (4)	0.086 (4)	0.057 (4)	−0.006 (4)	−0.023 (3)	0.004 (3)
C17	0.081 (4)	0.082 (5)	0.064 (4)	−0.021 (4)	−0.023 (4)	0.016 (4)
C18	0.066 (4)	0.092 (5)	0.052 (4)	−0.019 (4)	−0.015 (3)	0.010 (4)
C19	0.054 (3)	0.078 (4)	0.045 (3)	−0.019 (3)	−0.024 (3)	0.006 (3)
C20	0.060 (4)	0.092 (4)	0.046 (3)	−0.014 (4)	−0.017 (3)	0.002 (3)
C21	0.065 (4)	0.087 (5)	0.063 (4)	−0.008 (4)	−0.023 (4)	−0.007 (4)
C22	0.075 (4)	0.078 (5)	0.071 (4)	−0.012 (4)	−0.025 (4)	0.007 (4)
C23	0.059 (3)	0.090 (4)	0.055 (3)	−0.012 (3)	−0.019 (3)	0.012 (3)
C24	0.052 (3)	0.080 (4)	0.046 (3)	−0.012 (3)	−0.024 (3)	0.008 (3)
C25	0.060 (4)	0.070 (4)	0.055 (4)	−0.003 (3)	−0.010 (3)	−0.005 (3)
C26	0.070 (4)	0.077 (5)	0.055 (4)	−0.011 (4)	−0.008 (4)	−0.006 (4)
C27	0.060 (4)	0.085 (4)	0.059 (3)	−0.010 (3)	−0.018 (3)	0.005 (3)
C28	0.055 (4)	0.068 (4)	0.056 (4)	0.006 (3)	−0.001 (3)	0.009 (3)
C29	0.051 (3)	0.057 (4)	0.041 (3)	−0.001 (3)	−0.002 (3)	0.010 (3)
C30	0.058 (3)	0.060 (4)	0.039 (3)	0.002 (3)	−0.007 (3)	0.005 (3)
C31	0.069 (4)	0.057 (4)	0.053 (4)	0.005 (3)	−0.002 (3)	0.008 (3)
C32	0.080 (4)	0.062 (4)	0.057 (4)	0.009 (4)	0.002 (4)	0.003 (3)
C33	0.092 (5)	0.064 (5)	0.054 (4)	0.001 (4)	−0.008 (4)	−0.004 (4)
C34	0.070 (4)	0.074 (4)	0.052 (4)	−0.001 (4)	−0.011 (3)	−0.003 (4)
C35	0.060 (4)	0.074 (4)	0.067 (4)	0.007 (4)	−0.007 (3)	0.009 (4)
C36	0.062 (4)	0.069 (4)	0.067 (4)	0.011 (4)	0.000 (3)	0.011 (4)
C37	0.066 (3)	0.113 (3)	0.060 (3)	−0.016 (2)	−0.0265 (18)	0.003 (2)
C38	0.077 (4)	0.108 (5)	0.061 (4)	−0.033 (4)	−0.020 (3)	0.000 (4)
C39	0.074 (4)	0.096 (4)	0.055 (3)	−0.015 (3)	−0.029 (3)	−0.006 (3)
C40	0.101 (4)	0.112 (5)	0.074 (4)	−0.012 (4)	−0.021 (4)	−0.002 (4)
C41	0.102 (5)	0.125 (5)	0.088 (5)	−0.001 (5)	−0.023 (4)	0.002 (5)
C42	0.093 (5)	0.122 (5)	0.071 (4)	−0.008 (4)	−0.018 (4)	−0.005 (4)
C43	0.093 (4)	0.119 (5)	0.064 (4)	−0.039 (4)	−0.038 (4)	0.011 (4)
C44	0.114 (5)	0.136 (5)	0.076 (4)	−0.026 (5)	−0.033 (4)	0.007 (5)
C45	0.119 (5)	0.122 (6)	0.074 (5)	−0.031 (5)	−0.029 (4)	0.015 (5)
C46	0.128 (5)	0.118 (5)	0.093 (5)	−0.032 (5)	−0.030 (5)	−0.014 (5)
C47	0.108 (4)	0.114 (4)	0.070 (4)	−0.026 (4)	−0.035 (3)	−0.003 (4)
C48	0.079 (4)	0.099 (4)	0.049 (3)	−0.023 (3)	−0.030 (3)	0.002 (3)
C49	0.053 (3)	0.051 (4)	0.041 (3)	−0.013 (3)	−0.010 (3)	0.000 (3)
C50	0.058 (3)	0.058 (4)	0.037 (3)	−0.016 (3)	−0.007 (3)	0.002 (3)
C51	0.049 (3)	0.051 (3)	0.037 (3)	−0.012 (3)	−0.004 (3)	0.006 (3)
C52	0.049 (3)	0.063 (4)	0.044 (3)	−0.009 (3)	−0.011 (3)	0.004 (3)
C53	0.054 (4)	0.057 (4)	0.050 (3)	0.004 (3)	−0.006 (3)	−0.001 (3)
C54	0.058 (4)	0.055 (4)	0.045 (3)	−0.010 (3)	−0.003 (3)	−0.001 (3)
C55	0.047 (3)	0.057 (4)	0.040 (3)	−0.011 (3)	−0.007 (3)	0.009 (3)
C56	0.063 (4)	0.074 (4)	0.048 (3)	−0.014 (3)	−0.011 (3)	−0.001 (3)
C57	0.059 (4)	0.087 (5)	0.053 (4)	−0.010 (4)	−0.016 (3)	0.007 (4)
C58	0.053 (4)	0.080 (5)	0.069 (4)	0.004 (4)	−0.007 (4)	0.013 (4)
C59	0.052 (3)	0.061 (4)	0.051 (3)	−0.004 (3)	−0.005 (3)	0.005 (3)
C60	0.047 (3)	0.052 (3)	0.038 (3)	−0.009 (3)	−0.007 (3)	0.006 (3)
C61	0.062 (4)	0.060 (4)	0.046 (3)	−0.002 (3)	−0.013 (3)	0.000 (3)
C62	0.073 (4)	0.069 (5)	0.059 (4)	0.011 (4)	−0.021 (4)	0.003 (4)
C63	0.057 (4)	0.076 (4)	0.057 (4)	0.001 (3)	−0.025 (3)	−0.006 (4)
C64	0.056 (4)	0.065 (4)	0.049 (3)	−0.008 (3)	−0.012 (3)	−0.013 (3)
C65	0.047 (3)	0.053 (3)	0.039 (3)	−0.007 (3)	−0.010 (3)	−0.007 (3)
C66	0.054 (3)	0.054 (4)	0.036 (3)	−0.006 (3)	−0.002 (3)	−0.003 (3)
C67	0.061 (4)	0.059 (4)	0.048 (3)	−0.009 (3)	−0.003 (3)	−0.006 (3)
C68	0.073 (4)	0.061 (4)	0.051 (4)	−0.020 (4)	0.000 (3)	0.000 (3)
C69	0.089 (5)	0.057 (4)	0.054 (4)	−0.005 (4)	−0.010 (4)	0.010 (4)
C70	0.069 (4)	0.067 (4)	0.053 (4)	−0.002 (4)	−0.008 (3)	0.010 (4)
C71	0.054 (4)	0.072 (4)	0.065 (4)	−0.011 (3)	−0.007 (3)	−0.016 (3)
C72	0.061 (4)	0.063 (4)	0.063 (4)	−0.020 (3)	0.001 (3)	−0.017 (3)

Geometric parameters (Å, º)

Zn1—O2	2.061 (5)	C28—C29	1.392 (11)
Zn1—O4	2.070 (6)	C28—C35	1.445 (11)
Zn1—N1	2.110 (6)	C29—C30	1.430 (10)
Zn1—N2	2.119 (6)	C30—C31	1.409 (10)
Zn1—O1	2.273 (5)	C31—C32	1.409 (12)
Zn1—O3	2.323 (5)	C31—C36	1.427 (11)
Zn2—O6	1.998 (6)	C32—C33	1.351 (12)
Zn2—O8	2.067 (5)	C32—H32	0.9300
Zn2—N4	2.100 (6)	C33—C34	1.402 (11)
Zn2—N3	2.104 (6)	C33—H33	0.9300
Zn2—O7	2.268 (5)	C34—H34	0.9300
Zn2—O5	2.532 (6)	C35—C36	1.326 (12)
N1—C25	1.308 (9)	C35—H35	0.9300
N1—C29	1.369 (9)	C36—H36	0.9300
N2—C34	1.333 (10)	C37—C38	1.544 (11)
N2—C30	1.362 (9)	C38—C39	1.481 (12)
N3—C61	1.330 (9)	C38—H38A	0.9700
N3—C65	1.345 (9)	C38—H38B	0.9700
N4—C66	1.346 (9)	C39—C40	1.361 (13)
N4—C70	1.346 (9)	C39—C48	1.392 (12)
O1—C1	1.222 (8)	C40—C41	1.344 (13)
O2—C1	1.278 (9)	C40—H40	0.9300
O3—C13	1.229 (10)	C41—C42	1.267 (14)
O4—C13	1.241 (10)	C41—H41	0.9300
O5—C37	1.235 (11)	C42—C43	1.416 (14)
O6—C37	1.245 (11)	C42—H42	0.9300
O7—C49	1.246 (8)	C43—C44	1.300 (14)
O8—C49	1.245 (8)	C43—C48	1.506 (13)
C1—C2	1.521 (9)	C44—C45	1.344 (15)
C2—C3	1.501 (10)	C44—H44	0.9299
C2—H2A	0.9700	C45—C46	1.371 (15)
C2—H2B	0.9700	C45—H45	0.9300
C3—C4	1.382 (10)	C46—C47	1.457 (14)
C3—C12	1.409 (10)	C46—H46	0.9300
C4—C5	1.415 (12)	C47—C48	1.396 (13)
C4—H4	0.9300	C47—H47	0.9300
C5—C6	1.340 (12)	C49—C50	1.519 (9)
C5—H5	0.9300	C50—C51	1.515 (9)
C6—C7	1.388 (11)	C50—H50A	0.9700
C6—H6	0.9300	C50—H50B	0.9700
C7—C8	1.437 (12)	C51—C52	1.359 (10)
C7—C12	1.442 (11)	C51—C60	1.416 (10)
C8—C9	1.325 (12)	C52—C53	1.400 (10)
C8—H8	0.9300	C52—H52	0.9300
C9—C10	1.415 (12)	C53—C54	1.350 (10)
C9—H9	0.9300	C53—H53	0.9300
C10—C11	1.352 (11)	C54—C55	1.423 (10)
C10—H10	0.9300	C54—H54	0.9300
C11—C12	1.423 (11)	C55—C56	1.387 (10)
C11—H11	0.9300	C55—C60	1.423 (10)
C13—C14	1.533 (11)	C56—C57	1.356 (11)
C14—C15	1.526 (11)	C56—H56	0.9300
C14—H14A	0.9700	C57—C58	1.383 (12)
C14—H14B	0.9700	C57—H57	0.9300
C15—C16	1.372 (11)	C58—C59	1.366 (11)
C15—C24	1.405 (11)	C58—H58	0.9300
C16—C17	1.393 (11)	C59—C60	1.423 (10)
C16—H16	0.9300	C59—H59	0.9300
C17—C18	1.341 (12)	C61—C62	1.388 (11)
C17—H17	0.9300	C61—H61	0.9300
C18—C19	1.406 (11)	C62—C63	1.352 (11)
C18—H18	0.9300	C62—H62	0.9300
C19—C20	1.386 (11)	C63—C64	1.400 (11)
C19—C24	1.419 (10)	C63—H63	0.9300
C20—C21	1.362 (12)	C64—C65	1.403 (10)
C20—H20	0.9300	C64—C71	1.421 (11)
C21—C22	1.370 (11)	C65—C66	1.443 (10)
C21—H21	0.9300	C66—C67	1.400 (10)
C22—C23	1.371 (12)	C67—C68	1.398 (11)
C22—H22	0.9300	C67—C72	1.398 (11)
C23—C24	1.425 (11)	C68—C69	1.361 (11)
C23—H23	0.9300	C68—H68	0.9300
C25—C26	1.382 (11)	C69—C70	1.411 (11)
C25—H25	0.9300	C69—H69	0.9300
C26—C27	1.380 (12)	C70—H70	0.9300
C26—H26	0.9300	C71—C72	1.350 (11)
C27—C28	1.382 (11)	C71—H71	0.9300
C27—H27	0.9300	C72—H72	0.9300
O2—Zn1—O4	147.8 (2)	C29—C28—C35	117.5 (8)
O2—Zn1—N1	99.4 (2)	N1—C29—C28	122.0 (7)
O4—Zn1—N1	104.1 (2)	N1—C29—C30	116.9 (7)
O2—Zn1—N2	103.4 (2)	C28—C29—C30	121.0 (7)
O4—Zn1—N2	102.6 (2)	N2—C30—C31	123.3 (8)
N1—Zn1—N2	78.9 (2)	N2—C30—C29	117.8 (7)
O2—Zn1—O1	60.32 (19)	C31—C30—C29	118.8 (7)
O4—Zn1—O1	96.5 (2)	C32—C31—C30	116.4 (8)
N1—Zn1—O1	92.6 (2)	C32—C31—C36	124.0 (8)
N2—Zn1—O1	160.5 (2)	C30—C31—C36	119.5 (8)
O2—Zn1—O3	102.6 (2)	C33—C32—C31	120.2 (8)
O4—Zn1—O3	58.8 (2)	C33—C32—H32	119.9
N1—Zn1—O3	157.0 (2)	C31—C32—H32	119.9
N2—Zn1—O3	89.6 (2)	C32—C33—C34	119.9 (9)
O1—Zn1—O3	104.0 (2)	C32—C33—H33	120.0
O6—Zn2—O8	138.3 (2)	C34—C33—H33	120.0
O6—Zn2—N4	106.6 (2)	N2—C34—C33	122.2 (9)
O8—Zn2—N4	103.7 (2)	N2—C34—H34	118.9
O6—Zn2—N3	113.6 (2)	C33—C34—H34	118.9
O8—Zn2—N3	99.7 (2)	C36—C35—C28	122.5 (9)
N4—Zn2—N3	78.8 (2)	C36—C35—H35	118.8
O6—Zn2—O7	94.4 (2)	C28—C35—H35	118.8
O8—Zn2—O7	60.40 (19)	C35—C36—C31	120.6 (8)
N4—Zn2—O7	158.6 (2)	C35—C36—H36	119.7
N3—Zn2—O7	89.5 (2)	C31—C36—H36	119.7
O6—Zn2—O5	56.6 (2)	O5—C37—O6	124.7 (9)
O8—Zn2—O5	96.7 (2)	O5—C37—C38	119.2 (9)
N4—Zn2—O5	88.9 (2)	O6—C37—C38	116.1 (10)
N3—Zn2—O5	161.4 (2)	C39—C38—C37	113.2 (7)
O7—Zn2—O5	106.3 (2)	C39—C38—H38A	108.9
C25—N1—C29	117.7 (7)	C37—C38—H38A	108.9
C25—N1—Zn1	128.9 (5)	C39—C38—H38B	108.9
C29—N1—Zn1	113.4 (5)	C37—C38—H38B	108.9
C34—N2—C30	117.9 (7)	H38A—C38—H38B	107.7
C34—N2—Zn1	129.2 (6)	C40—C39—C48	120.6 (10)
C30—N2—Zn1	112.9 (5)	C40—C39—C38	117.3 (10)
C61—N3—C65	119.1 (7)	C48—C39—C38	122.1 (9)
C61—N3—Zn2	127.8 (5)	C41—C40—C39	122.1 (12)
C65—N3—Zn2	113.0 (5)	C41—C40—H40	118.9
C66—N4—C70	117.2 (7)	C39—C40—H40	118.9
C66—N4—Zn2	113.9 (5)	C42—C41—C40	122.3 (13)
C70—N4—Zn2	128.8 (5)	C42—C41—H41	118.8
C1—O1—Zn1	84.7 (4)	C40—C41—H41	118.8
C1—O2—Zn1	92.9 (4)	C41—C42—C43	122.5 (12)
C13—O3—Zn1	83.5 (5)	C41—C42—H42	118.7
C13—O4—Zn1	94.9 (5)	C43—C42—H42	118.7
C37—O5—Zn2	77.1 (5)	C44—C43—C42	123.0 (12)
C37—O6—Zn2	101.6 (6)	C44—C43—C48	120.4 (12)
C49—O7—Zn2	83.8 (4)	C42—C43—C48	116.6 (10)
C49—O8—Zn2	92.9 (4)	C43—C44—C45	118.2 (13)
O1—C1—O2	121.9 (7)	C43—C44—H44	121.1
O1—C1—C2	120.6 (7)	C45—C44—H44	120.6
O2—C1—C2	117.5 (7)	C44—C45—C46	127.6 (13)
C3—C2—C1	114.6 (6)	C44—C45—H45	116.1
C3—C2—H2A	108.6	C46—C45—H45	116.3
C1—C2—H2A	108.6	C45—C46—C47	117.3 (12)
C3—C2—H2B	108.6	C45—C46—H46	121.6
C1—C2—H2B	108.6	C47—C46—H46	121.1
H2A—C2—H2B	107.6	C48—C47—C46	116.1 (11)
C4—C3—C12	118.6 (7)	C48—C47—H47	121.7
C4—C3—C2	119.6 (7)	C46—C47—H47	122.2
C12—C3—C2	121.8 (7)	C39—C48—C47	123.9 (10)
C3—C4—C5	119.8 (8)	C39—C48—C43	115.8 (10)
C3—C4—H4	120.1	C47—C48—C43	120.3 (10)
C5—C4—H4	120.1	O8—C49—O7	122.8 (7)
C6—C5—C4	122.3 (8)	O8—C49—C50	118.8 (7)
C6—C5—H5	118.9	O7—C49—C50	118.4 (7)
C4—C5—H5	118.9	C51—C50—C49	115.7 (6)
C5—C6—C7	120.4 (8)	C51—C50—H50A	108.4
C5—C6—H6	119.8	C49—C50—H50A	108.4
C7—C6—H6	119.8	C51—C50—H50B	108.4
C6—C7—C8	124.2 (8)	C49—C50—H50B	108.4
C6—C7—C12	118.5 (8)	H50A—C50—H50B	107.4
C8—C7—C12	117.2 (8)	C52—C51—C60	119.8 (7)
C9—C8—C7	122.9 (8)	C52—C51—C50	120.0 (7)
C9—C8—H8	118.5	C60—C51—C50	120.2 (6)
C7—C8—H8	118.5	C51—C52—C53	121.5 (7)
C8—C9—C10	119.9 (9)	C51—C52—H52	119.3
C8—C9—H9	120.0	C53—C52—H52	119.3
C10—C9—H9	120.0	C54—C53—C52	119.9 (7)
C11—C10—C9	120.3 (9)	C54—C53—H53	120.0
C11—C10—H10	119.9	C52—C53—H53	120.0
C9—C10—H10	119.9	C53—C54—C55	121.5 (7)
C10—C11—C12	122.0 (8)	C53—C54—H54	119.2
C10—C11—H11	119.0	C55—C54—H54	119.2
C12—C11—H11	119.0	C56—C55—C54	121.6 (7)
C3—C12—C11	122.0 (7)	C56—C55—C60	120.6 (7)
C3—C12—C7	120.4 (7)	C54—C55—C60	117.8 (7)
C11—C12—C7	117.6 (8)	C57—C56—C55	120.2 (8)
O3—C13—O4	122.8 (8)	C57—C56—H56	119.9
O3—C13—C14	118.9 (8)	C55—C56—H56	119.9
O4—C13—C14	118.3 (9)	C56—C57—C58	120.6 (8)
C15—C14—C13	114.0 (6)	C56—C57—H57	119.7
C15—C14—H14A	108.7	C58—C57—H57	119.7
C13—C14—H14A	108.7	C59—C58—C57	121.2 (8)
C15—C14—H14B	108.7	C59—C58—H58	119.4
C13—C14—H14B	108.7	C57—C58—H58	119.4
H14A—C14—H14B	107.6	C58—C59—C60	120.0 (8)
C16—C15—C24	118.4 (8)	C58—C59—H59	120.0
C16—C15—C14	121.7 (9)	C60—C59—H59	120.0
C24—C15—C14	119.8 (8)	C51—C60—C59	123.3 (7)
C15—C16—C17	121.4 (9)	C51—C60—C55	119.4 (7)
C15—C16—H16	119.3	C59—C60—C55	117.3 (7)
C17—C16—H16	119.3	N3—C61—C62	121.2 (8)
C18—C17—C16	121.1 (9)	N3—C61—H61	119.4
C18—C17—H17	119.5	C62—C61—H61	119.4
C16—C17—H17	119.5	C63—C62—C61	120.4 (8)
C17—C18—C19	120.2 (8)	C63—C62—H62	119.8
C17—C18—H18	119.9	C61—C62—H62	119.8
C19—C18—H18	119.9	C62—C63—C64	119.8 (8)
C20—C19—C18	121.3 (8)	C62—C63—H63	120.1
C20—C19—C24	119.9 (8)	C64—C63—H63	120.1
C18—C19—C24	118.8 (8)	C63—C64—C65	116.7 (7)
C21—C20—C19	121.5 (8)	C63—C64—C71	124.5 (8)
C21—C20—H20	119.3	C65—C64—C71	118.8 (8)
C19—C20—H20	119.3	N3—C65—C64	122.7 (7)
C20—C21—C22	120.4 (9)	N3—C65—C66	117.8 (6)
C20—C21—H21	119.8	C64—C65—C66	119.5 (7)
C22—C21—H21	119.8	N4—C66—C67	124.6 (7)
C21—C22—C23	120.0 (9)	N4—C66—C65	116.3 (6)
C21—C22—H22	120.0	C67—C66—C65	119.1 (7)
C23—C22—H22	120.0	C68—C67—C72	123.4 (8)
C22—C23—C24	121.8 (8)	C68—C67—C66	116.5 (8)
C22—C23—H23	119.1	C72—C67—C66	120.1 (8)
C24—C23—H23	119.1	C69—C68—C67	120.4 (8)
C15—C24—C19	120.0 (8)	C69—C68—H68	119.8
C15—C24—C23	123.7 (8)	C67—C68—H68	119.8
C19—C24—C23	116.3 (8)	C68—C69—C70	119.2 (8)
N1—C25—C26	124.1 (8)	C68—C69—H69	120.4
N1—C25—H25	117.9	C70—C69—H69	120.4
C26—C25—H25	117.9	N4—C70—C69	122.1 (8)
C27—C26—C25	118.3 (8)	N4—C70—H70	119.0
C27—C26—H26	120.8	C69—C70—H70	119.0
C25—C26—H26	120.8	C72—C71—C64	121.5 (8)
C26—C27—C28	119.5 (8)	C72—C71—H71	119.3
C26—C27—H27	120.3	C64—C71—H71	119.3
C28—C27—H27	120.3	C71—C72—C67	121.0 (8)
C27—C28—C29	118.3 (8)	C71—C72—H72	119.5
C27—C28—C35	124.2 (8)	C67—C72—H72	119.5
O2—Zn1—N1—C25	−76.9 (7)	C18—C19—C24—C23	−175.9 (7)
O4—Zn1—N1—C25	80.9 (7)	C22—C23—C24—C15	178.6 (8)
N2—Zn1—N1—C25	−178.8 (7)	C22—C23—C24—C19	−1.0 (11)
O1—Zn1—N1—C25	−16.5 (7)	C29—N1—C25—C26	0.3 (12)
O3—Zn1—N1—C25	119.9 (7)	Zn1—N1—C25—C26	−179.3 (6)
O2—Zn1—N1—C29	103.4 (5)	N1—C25—C26—C27	−1.3 (13)
O4—Zn1—N1—C29	−98.8 (5)	C25—C26—C27—C28	1.0 (12)
N2—Zn1—N1—C29	1.5 (5)	C26—C27—C28—C29	0.1 (12)
O1—Zn1—N1—C29	163.8 (5)	C26—C27—C28—C35	177.9 (8)
O3—Zn1—N1—C29	−59.8 (8)	C25—N1—C29—C28	0.9 (11)
O2—Zn1—N2—C34	82.1 (7)	Zn1—N1—C29—C28	−179.4 (5)
O4—Zn1—N2—C34	−78.6 (7)	C25—N1—C29—C30	178.9 (7)
N1—Zn1—N2—C34	179.3 (7)	Zn1—N1—C29—C30	−1.4 (8)
O1—Zn1—N2—C34	114.0 (8)	C27—C28—C29—N1	−1.1 (11)
O3—Zn1—N2—C34	−20.7 (7)	C35—C28—C29—N1	−179.0 (7)
O2—Zn1—N2—C30	−98.5 (5)	C27—C28—C29—C30	−179.0 (7)
O4—Zn1—N2—C30	100.7 (5)	C35—C28—C29—C30	3.0 (11)
N1—Zn1—N2—C30	−1.4 (5)	C34—N2—C30—C31	2.0 (11)
O1—Zn1—N2—C30	−66.7 (9)	Zn1—N2—C30—C31	−177.4 (6)
O3—Zn1—N2—C30	158.6 (5)	C34—N2—C30—C29	−179.5 (7)
O6—Zn2—N3—C61	−75.7 (6)	Zn1—N2—C30—C29	1.1 (8)
O8—Zn2—N3—C61	78.7 (6)	N1—C29—C30—N2	0.2 (10)
N4—Zn2—N3—C61	−179.1 (6)	C28—C29—C30—N2	178.2 (6)
O7—Zn2—N3—C61	18.9 (6)	N1—C29—C30—C31	178.8 (6)
O5—Zn2—N3—C61	−129.8 (7)	C28—C29—C30—C31	−3.2 (11)
O6—Zn2—N3—C65	107.6 (5)	N2—C30—C31—C32	−2.4 (11)
O8—Zn2—N3—C65	−98.0 (5)	C29—C30—C31—C32	179.0 (7)
N4—Zn2—N3—C65	4.2 (5)	N2—C30—C31—C36	−179.8 (7)
O7—Zn2—N3—C65	−157.8 (5)	C29—C30—C31—C36	1.6 (11)
O5—Zn2—N3—C65	53.5 (9)	C30—C31—C32—C33	2.4 (12)
O6—Zn2—N4—C66	−114.3 (5)	C36—C31—C32—C33	179.7 (8)
O8—Zn2—N4—C66	94.6 (5)	C31—C32—C33—C34	−2.0 (13)
N3—Zn2—N4—C66	−2.8 (5)	C30—N2—C34—C33	−1.5 (11)
O7—Zn2—N4—C66	55.1 (8)	Zn1—N2—C34—C33	177.8 (6)
O5—Zn2—N4—C66	−168.8 (5)	C32—C33—C34—N2	1.6 (13)
O6—Zn2—N4—C70	67.1 (7)	C27—C28—C35—C36	−179.2 (8)
O8—Zn2—N4—C70	−83.9 (6)	C29—C28—C35—C36	−1.4 (12)
N3—Zn2—N4—C70	178.7 (7)	C28—C35—C36—C31	−0.1 (13)
O7—Zn2—N4—C70	−123.5 (7)	C32—C31—C36—C35	−177.2 (8)
O5—Zn2—N4—C70	12.7 (6)	C30—C31—C36—C35	0.0 (12)
O2—Zn1—O1—C1	2.5 (4)	Zn2—O5—C37—O6	−1.6 (9)
O4—Zn1—O1—C1	158.7 (4)	Zn2—O5—C37—C38	178.7 (9)
N1—Zn1—O1—C1	−96.9 (4)	Zn2—O6—C37—O5	2.1 (12)
N2—Zn1—O1—C1	−33.7 (9)	Zn2—O6—C37—C38	−178.3 (6)
O3—Zn1—O1—C1	99.2 (4)	O5—C37—C38—C39	122.4 (10)
O4—Zn1—O2—C1	−51.2 (6)	O6—C37—C38—C39	−57.3 (12)
N1—Zn1—O2—C1	85.2 (4)	C37—C38—C39—C40	107.7 (10)
N2—Zn1—O2—C1	165.9 (4)	C37—C38—C39—C48	−73.4 (12)
O1—Zn1—O2—C1	−2.4 (4)	C48—C39—C40—C41	2.6 (15)
O3—Zn1—O2—C1	−101.4 (4)	C38—C39—C40—C41	−178.5 (9)
O2—Zn1—O3—C13	152.3 (5)	C39—C40—C41—C42	−0.6 (18)
O4—Zn1—O3—C13	0.9 (5)	C40—C41—C42—C43	−1.7 (18)
N1—Zn1—O3—C13	−44.6 (9)	C41—C42—C43—C44	−179.0 (11)
N2—Zn1—O3—C13	−104.0 (6)	C41—C42—C43—C48	1.9 (15)
O1—Zn1—O3—C13	90.2 (5)	C42—C43—C44—C45	179.6 (10)
O2—Zn1—O4—C13	−62.1 (7)	C48—C43—C44—C45	−1.3 (15)
N1—Zn1—O4—C13	162.4 (5)	C43—C44—C45—C46	2.4 (19)
N2—Zn1—O4—C13	80.9 (5)	C44—C45—C46—C47	−1.4 (18)
O1—Zn1—O4—C13	−103.3 (5)	C45—C46—C47—C48	−0.7 (14)
O3—Zn1—O4—C13	−0.9 (5)	C40—C39—C48—C47	179.4 (9)
O6—Zn2—O5—C37	1.0 (6)	C38—C39—C48—C47	0.5 (13)
O8—Zn2—O5—C37	−144.5 (6)	C40—C39—C48—C43	−2.1 (12)
N4—Zn2—O5—C37	111.8 (6)	C38—C39—C48—C43	179.0 (7)
N3—Zn2—O5—C37	63.8 (10)	C46—C47—C48—C39	180.0 (8)
O7—Zn2—O5—C37	−83.4 (6)	C46—C47—C48—C43	1.6 (13)
O8—Zn2—O6—C37	56.8 (7)	C44—C43—C48—C39	−179.2 (9)
N4—Zn2—O6—C37	−78.2 (6)	C42—C43—C48—C39	0.0 (12)
N3—Zn2—O6—C37	−163.0 (6)	C44—C43—C48—C47	−0.6 (14)
O7—Zn2—O6—C37	105.7 (6)	C42—C43—C48—C47	178.5 (9)
O5—Zn2—O6—C37	−1.0 (6)	Zn2—O8—C49—O7	−3.1 (8)
O6—Zn2—O7—C49	−146.5 (5)	Zn2—O8—C49—C50	179.5 (6)
O8—Zn2—O7—C49	−1.6 (4)	Zn2—O7—C49—O8	2.8 (7)
N4—Zn2—O7—C49	43.7 (8)	Zn2—O7—C49—C50	−179.8 (6)
N3—Zn2—O7—C49	99.9 (4)	O8—C49—C50—C51	−28.7 (10)
O5—Zn2—O7—C49	−90.1 (4)	O7—C49—C50—C51	153.8 (7)
O6—Zn2—O8—C49	61.3 (5)	C49—C50—C51—C52	109.3 (8)
N4—Zn2—O8—C49	−162.9 (4)	C49—C50—C51—C60	−69.6 (9)
N3—Zn2—O8—C49	−82.2 (4)	C60—C51—C52—C53	−0.9 (11)
O7—Zn2—O8—C49	1.6 (4)	C50—C51—C52—C53	−179.8 (6)
O5—Zn2—O8—C49	106.6 (4)	C51—C52—C53—C54	1.2 (11)
Zn1—O1—C1—O2	−4.1 (7)	C52—C53—C54—C55	−1.3 (11)
Zn1—O1—C1—C2	176.2 (6)	C53—C54—C55—C56	−178.2 (7)
Zn1—O2—C1—O1	4.5 (7)	C53—C54—C55—C60	1.1 (11)
Zn1—O2—C1—C2	−175.7 (5)	C54—C55—C56—C57	178.4 (7)
O1—C1—C2—C3	−144.5 (7)	C60—C55—C56—C57	−0.9 (11)
O2—C1—C2—C3	35.8 (9)	C55—C56—C57—C58	2.0 (12)
C1—C2—C3—C4	−103.6 (8)	C56—C57—C58—C59	−2.1 (13)
C1—C2—C3—C12	73.6 (9)	C57—C58—C59—C60	1.1 (12)
C12—C3—C4—C5	−0.1 (11)	C52—C51—C60—C59	179.1 (7)
C2—C3—C4—C5	177.1 (7)	C50—C51—C60—C59	−1.9 (10)
C3—C4—C5—C6	−0.3 (12)	C52—C51—C60—C55	0.7 (10)
C4—C5—C6—C7	0.5 (12)	C50—C51—C60—C55	179.6 (6)
C5—C6—C7—C8	177.5 (7)	C58—C59—C60—C51	−178.6 (7)
C5—C6—C7—C12	−0.2 (11)	C58—C59—C60—C55	−0.1 (10)
C6—C7—C8—C9	−177.5 (8)	C56—C55—C60—C51	178.5 (7)
C12—C7—C8—C9	0.3 (12)	C54—C55—C60—C51	−0.8 (10)
C7—C8—C9—C10	−3.0 (13)	C56—C55—C60—C59	0.0 (10)
C8—C9—C10—C11	3.7 (13)	C54—C55—C60—C59	−179.3 (6)
C9—C10—C11—C12	−1.6 (13)	C65—N3—C61—C62	0.3 (10)
C4—C3—C12—C11	−179.5 (7)	Zn2—N3—C61—C62	−176.2 (5)
C2—C3—C12—C11	3.3 (11)	N3—C61—C62—C63	−0.7 (12)
C4—C3—C12—C7	0.4 (11)	C61—C62—C63—C64	0.4 (12)
C2—C3—C12—C7	−176.8 (6)	C62—C63—C64—C65	0.2 (11)
C10—C11—C12—C3	178.8 (7)	C62—C63—C64—C71	179.5 (8)
C10—C11—C12—C7	−1.1 (12)	C61—N3—C65—C64	0.3 (10)
C6—C7—C12—C3	−0.2 (11)	Zn2—N3—C65—C64	177.3 (5)
C8—C7—C12—C3	−178.1 (7)	C61—N3—C65—C66	177.8 (6)
C6—C7—C12—C11	179.7 (7)	Zn2—N3—C65—C66	−5.2 (8)
C8—C7—C12—C11	1.8 (10)	C63—C64—C65—N3	−0.5 (11)
Zn1—O3—C13—O4	−1.6 (9)	C71—C64—C65—N3	−179.8 (7)
Zn1—O3—C13—C14	176.6 (8)	C63—C64—C65—C66	−178.0 (7)
Zn1—O4—C13—O3	1.8 (10)	C71—C64—C65—C66	2.6 (10)
Zn1—O4—C13—C14	−176.4 (7)	C70—N4—C66—C67	1.0 (10)
O3—C13—C14—C15	−135.4 (9)	Zn2—N4—C66—C67	−177.7 (5)
O4—C13—C14—C15	42.8 (12)	C70—N4—C66—C65	179.7 (6)
C13—C14—C15—C16	−103.9 (10)	Zn2—N4—C66—C65	0.9 (8)
C13—C14—C15—C24	77.9 (10)	N3—C65—C66—N4	2.9 (9)
C24—C15—C16—C17	−0.4 (12)	C64—C65—C66—N4	−179.5 (6)
C14—C15—C16—C17	−178.6 (7)	N3—C65—C66—C67	−178.4 (6)
C15—C16—C17—C18	2.5 (13)	C64—C65—C66—C67	−0.7 (10)
C16—C17—C18—C19	−0.9 (13)	N4—C66—C67—C68	−1.6 (11)
C17—C18—C19—C20	177.7 (8)	C65—C66—C67—C68	179.8 (7)
C17—C18—C19—C24	−2.5 (11)	N4—C66—C67—C72	177.8 (7)
C18—C19—C20—C21	175.5 (7)	C65—C66—C67—C72	−0.8 (10)
C24—C19—C20—C21	−4.2 (11)	C72—C67—C68—C69	−179.2 (7)
C19—C20—C21—C22	1.5 (12)	C66—C67—C68—C69	0.2 (11)
C20—C21—C22—C23	1.4 (13)	C67—C68—C69—C70	1.6 (12)
C21—C22—C23—C24	−1.6 (12)	C66—N4—C70—C69	0.9 (11)
C16—C15—C24—C19	−3.0 (11)	Zn2—N4—C70—C69	179.4 (6)
C14—C15—C24—C19	175.2 (6)	C68—C69—C70—N4	−2.2 (12)
C16—C15—C24—C23	177.4 (7)	C63—C64—C71—C72	177.5 (8)
C14—C15—C24—C23	−4.3 (11)	C65—C64—C71—C72	−3.2 (11)
C20—C19—C24—C15	−175.7 (7)	C64—C71—C72—C67	1.7 (12)
C18—C19—C24—C15	4.5 (10)	C68—C67—C72—C71	179.7 (8)
C20—C19—C24—C23	3.8 (10)	C66—C67—C72—C71	0.3 (11)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C54—H54···O1^i	0.93	2.43	3.320 (9)	161
C20—H20···O5^ii	0.93	2.58	3.493 (11)	166
C44—H44···O3^iii	0.93	2.70	3.627 (14)	176
C68—H68···O8^iv	0.93	2.67	3.407 (10)	137
C32—H32···O2^v	0.93	2.68	3.350 (10)	130
C6—H6···O7^vi	0.93	2.54	3.275 (10)	136

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