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metal-organic compounds
The asymmetric unit of title complex, [Zn(C18H17N2O3)(C2H3O2)(C5H5N)], consists of two independent ZnII complex molecules, which are held together by N—HO hydrogen bonds, forming a dimer. Each ZnII 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.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804019725/ci6425sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804019725/ci6425Isup2.hkl |
CCDC reference: 251601
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (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
Computing details top
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.
Crystal data top
[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) Å3 |
Data collection top
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 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)] = 0.053 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.109 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0472P)2] where P = (Fo2 + 2Fc2)/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 (Å2) top
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 (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
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) top
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) top
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 |
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