| Literature DB >> 24098181 |
Hui Wang1, Xue-Song Zhao, Jun-Shan Luo, Yu-Peng Tian.
Abstract
In the title compound, [ZnI2(C34H31N3)], the Zn(II) atom is four-coordinated by two I atoms and the pyridine N atoms from the bidentate 6'-phenyl-2,2'-bi-pyridine ligand in a distorted tetra-hedral geometry.Entities:
Year: 2013 PMID: 24098181 PMCID: PMC3790359 DOI: 10.1107/S1600536813025464
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [ZnI2(C34H31N3)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 9968 reflections |
| θ = 2.3–26.0° | |
| µ = 2.73 mm−1 | |
| β = 99.306 (1)° | Block, yellow |
| 0.22 × 0.22 × 0.21 mm | |
| Bruker SMART CCD area-detector diffractometer | 6226 independent reflections |
| Radiation source: fine-focus sealed tube | 5325 reflections with |
| Graphite monochromator | |
| phi and ω scans | θmax = 26.0°, θmin = 1.5° |
| Absorption correction: multi-scan ( | |
| 23438 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 6226 reflections | (Δ/σ)max = 0.020 |
| 362 parameters | Δρmax = 1.10 e Å−3 |
| 0 restraints | Δρmin = −0.92 e Å−3 |
| 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 |
| C1 | 0.0246 (3) | 0.1788 (4) | −0.0159 (2) | 0.0519 (9) | |
| H1 | 0.0503 | 0.1253 | −0.0437 | 0.062* | |
| C2 | −0.0605 (3) | 0.1523 (5) | −0.0083 (2) | 0.0586 (11) | |
| H2 | −0.0923 | 0.0833 | −0.0312 | 0.070* | |
| C3 | −0.0979 (3) | 0.2296 (5) | 0.0339 (2) | 0.0625 (11) | |
| H3 | −0.1553 | 0.2129 | 0.0403 | 0.075* | |
| C4 | −0.0492 (3) | 0.3323 (5) | 0.0668 (2) | 0.0576 (10) | |
| H4 | −0.0731 | 0.3843 | 0.0961 | 0.069* | |
| C5 | 0.0354 (2) | 0.3570 (4) | 0.05571 (18) | 0.0438 (8) | |
| C6 | 0.0905 (2) | 0.4704 (4) | 0.08513 (17) | 0.0415 (8) | |
| C7 | 0.0553 (3) | 0.5746 (4) | 0.11583 (19) | 0.0448 (8) | |
| H7 | −0.0041 | 0.5726 | 0.1196 | 0.054* | |
| C8 | 0.1077 (3) | 0.6834 (4) | 0.14154 (18) | 0.0462 (8) | |
| C9 | 0.1963 (3) | 0.6783 (4) | 0.13391 (19) | 0.0467 (8) | |
| H9 | 0.2342 | 0.7473 | 0.1506 | 0.056* | |
| C10 | 0.2285 (3) | 0.5719 (4) | 0.10179 (18) | 0.0451 (8) | |
| C11 | 0.3224 (3) | 0.5669 (5) | 0.0938 (2) | 0.0541 (10) | |
| C12 | 0.3621 (4) | 0.6800 (6) | 0.0716 (3) | 0.0770 (15) | |
| H12 | 0.3304 | 0.7598 | 0.0628 | 0.092* | |
| C13 | 0.4498 (4) | 0.6728 (9) | 0.0627 (4) | 0.101 (2) | |
| H13 | 0.4766 | 0.7482 | 0.0481 | 0.121* | |
| C14 | 0.4964 (4) | 0.5559 (10) | 0.0754 (4) | 0.106 (2) | |
| H14 | 0.5541 | 0.5510 | 0.0679 | 0.127* | |
| C15 | 0.4591 (4) | 0.4466 (9) | 0.0991 (4) | 0.099 (2) | |
| H15 | 0.4922 | 0.3684 | 0.1089 | 0.118* | |
| C16 | 0.3711 (3) | 0.4505 (6) | 0.1089 (3) | 0.0740 (14) | |
| H16 | 0.3460 | 0.3756 | 0.1254 | 0.089* | |
| C17 | 0.0706 (3) | 0.7983 (4) | 0.17284 (19) | 0.0484 (9) | |
| C18 | −0.0098 (3) | 0.7825 (5) | 0.1959 (2) | 0.0605 (11) | |
| H18 | −0.0373 | 0.6984 | 0.1927 | 0.073* | |
| C19 | −0.0487 (3) | 0.8889 (5) | 0.2231 (3) | 0.0673 (13) | |
| H19 | −0.1017 | 0.8770 | 0.2380 | 0.081* | |
| C20 | −0.0068 (3) | 1.0139 (5) | 0.2275 (2) | 0.0570 (10) | |
| C21 | 0.0745 (3) | 1.0319 (4) | 0.20552 (18) | 0.0493 (9) | |
| C22 | 0.1119 (3) | 0.9250 (4) | 0.17774 (19) | 0.0480 (9) | |
| H22 | 0.1645 | 0.9371 | 0.1623 | 0.058* | |
| C23 | 0.1006 (3) | 1.1708 (4) | 0.21957 (19) | 0.0524 (10) | |
| C24 | 0.1738 (3) | 1.2478 (5) | 0.2116 (2) | 0.0574 (10) | |
| H24 | 0.2179 | 1.2109 | 0.1918 | 0.069* | |
| C25 | 0.1801 (4) | 1.3793 (5) | 0.2336 (2) | 0.0652 (12) | |
| H25 | 0.2290 | 1.4312 | 0.2287 | 0.078* | |
| C26 | 0.1142 (4) | 1.4352 (5) | 0.2630 (2) | 0.0734 (14) | |
| H26 | 0.1205 | 1.5239 | 0.2777 | 0.088* | |
| C27 | 0.0402 (4) | 1.3642 (5) | 0.2710 (2) | 0.0717 (14) | |
| H27 | −0.0040 | 1.4033 | 0.2900 | 0.086* | |
| C28 | 0.0344 (3) | 1.2295 (5) | 0.2492 (2) | 0.0592 (11) | |
| C29 | −0.1112 (5) | 1.1590 (8) | 0.2789 (4) | 0.103 (2) | |
| H29A | −0.0959 | 1.2105 | 0.3178 | 0.123* | |
| H29B | −0.1342 | 1.0724 | 0.2902 | 0.123* | |
| C30 | −0.1837 (7) | 1.2325 (11) | 0.2369 (5) | 0.139 (3) | |
| H30A | −0.2280 | 1.2610 | 0.2617 | 0.167* | |
| H30B | −0.1600 | 1.3127 | 0.2195 | 0.167* | |
| C31 | −0.2230 (9) | 1.1466 (14) | 0.1863 (7) | 0.170 (4) | |
| H31A | −0.2207 | 1.0541 | 0.2017 | 0.204* | |
| H31B | −0.1877 | 1.1509 | 0.1526 | 0.204* | |
| C32 | −0.3178 (10) | 1.1793 (16) | 0.1580 (8) | 0.192 (5) | |
| H32A | −0.3558 | 1.1698 | 0.1899 | 0.231* | |
| H32B | −0.3225 | 1.2713 | 0.1419 | 0.231* | |
| C33 | −0.3423 (11) | 1.0840 (17) | 0.1072 (8) | 0.202 (6) | |
| H33A | −0.3278 | 1.1241 | 0.0687 | 0.243* | |
| H33B | −0.3053 | 1.0046 | 0.1164 | 0.243* | |
| C34 | −0.4308 (11) | 1.0396 (17) | 0.0940 (8) | 0.216 (6) | |
| H34A | −0.4374 | 0.9586 | 0.1177 | 0.324* | |
| H34B | −0.4465 | 1.0213 | 0.0494 | 0.324* | |
| H34C | −0.4687 | 1.1088 | 0.1061 | 0.324* | |
| I1 | 0.23267 (2) | 0.40572 (4) | −0.090212 (16) | 0.07186 (13) | |
| I2 | 0.27913 (2) | 0.09387 (3) | 0.057852 (19) | 0.07051 (13) | |
| N1 | 0.1767 (2) | 0.4681 (3) | 0.07773 (14) | 0.0428 (7) | |
| N2 | 0.0721 (2) | 0.2792 (3) | 0.01525 (15) | 0.0450 (7) | |
| N3 | −0.0309 (3) | 1.1340 (4) | 0.2530 (2) | 0.0645 (10) | |
| Zn1 | 0.20504 (3) | 0.31593 (5) | 0.01641 (2) | 0.04805 (14) |
| C1 | 0.058 (2) | 0.043 (2) | 0.053 (2) | −0.0009 (17) | 0.0039 (18) | −0.0010 (17) |
| C2 | 0.059 (3) | 0.049 (2) | 0.065 (3) | −0.0094 (19) | 0.000 (2) | 0.002 (2) |
| C3 | 0.051 (2) | 0.062 (3) | 0.075 (3) | −0.013 (2) | 0.011 (2) | 0.001 (2) |
| C4 | 0.050 (2) | 0.059 (3) | 0.066 (3) | −0.0048 (19) | 0.015 (2) | −0.005 (2) |
| C5 | 0.0423 (19) | 0.0442 (19) | 0.045 (2) | 0.0018 (15) | 0.0064 (15) | 0.0023 (16) |
| C6 | 0.0397 (18) | 0.0434 (19) | 0.0417 (19) | 0.0004 (15) | 0.0069 (14) | 0.0030 (15) |
| C7 | 0.0416 (19) | 0.047 (2) | 0.046 (2) | 0.0027 (15) | 0.0089 (16) | 0.0004 (16) |
| C8 | 0.048 (2) | 0.047 (2) | 0.043 (2) | 0.0010 (16) | 0.0088 (16) | −0.0027 (16) |
| C9 | 0.045 (2) | 0.047 (2) | 0.048 (2) | −0.0013 (16) | 0.0063 (16) | −0.0034 (17) |
| C10 | 0.045 (2) | 0.046 (2) | 0.043 (2) | −0.0007 (16) | 0.0039 (16) | −0.0042 (16) |
| C11 | 0.042 (2) | 0.064 (3) | 0.055 (2) | −0.0022 (18) | 0.0069 (18) | −0.017 (2) |
| C12 | 0.061 (3) | 0.088 (4) | 0.085 (4) | −0.018 (3) | 0.020 (3) | −0.013 (3) |
| C13 | 0.072 (4) | 0.126 (6) | 0.110 (5) | −0.035 (4) | 0.027 (4) | −0.014 (4) |
| C14 | 0.055 (3) | 0.147 (7) | 0.116 (6) | −0.007 (4) | 0.020 (3) | −0.033 (5) |
| C15 | 0.056 (3) | 0.120 (5) | 0.115 (5) | 0.020 (4) | −0.001 (3) | −0.031 (4) |
| C16 | 0.049 (2) | 0.084 (3) | 0.086 (4) | 0.012 (2) | 0.001 (2) | −0.017 (3) |
| C17 | 0.051 (2) | 0.049 (2) | 0.046 (2) | 0.0049 (17) | 0.0113 (17) | −0.0038 (17) |
| C18 | 0.062 (3) | 0.055 (2) | 0.069 (3) | −0.005 (2) | 0.024 (2) | −0.009 (2) |
| C19 | 0.062 (3) | 0.067 (3) | 0.080 (3) | −0.002 (2) | 0.032 (2) | −0.012 (2) |
| C20 | 0.060 (2) | 0.057 (3) | 0.057 (2) | 0.007 (2) | 0.018 (2) | −0.0084 (19) |
| C21 | 0.054 (2) | 0.051 (2) | 0.042 (2) | 0.0046 (18) | 0.0069 (17) | −0.0038 (17) |
| C22 | 0.048 (2) | 0.052 (2) | 0.045 (2) | 0.0027 (17) | 0.0100 (16) | −0.0041 (17) |
| C23 | 0.066 (3) | 0.051 (2) | 0.0385 (19) | 0.0046 (19) | 0.0030 (18) | −0.0030 (17) |
| C24 | 0.069 (3) | 0.055 (2) | 0.046 (2) | 0.000 (2) | 0.0002 (19) | 0.0023 (19) |
| C25 | 0.083 (3) | 0.055 (3) | 0.051 (2) | −0.006 (2) | −0.006 (2) | 0.003 (2) |
| C26 | 0.103 (4) | 0.053 (3) | 0.059 (3) | 0.004 (3) | −0.002 (3) | −0.005 (2) |
| C27 | 0.096 (4) | 0.060 (3) | 0.060 (3) | 0.013 (3) | 0.014 (3) | −0.010 (2) |
| C28 | 0.077 (3) | 0.051 (2) | 0.049 (2) | 0.009 (2) | 0.010 (2) | −0.0063 (19) |
| C29 | 0.104 (5) | 0.102 (5) | 0.112 (5) | 0.018 (4) | 0.047 (4) | −0.009 (4) |
| C30 | 0.138 (8) | 0.139 (8) | 0.144 (8) | 0.020 (6) | 0.031 (6) | −0.003 (7) |
| C31 | 0.170 (11) | 0.174 (11) | 0.163 (11) | 0.014 (9) | 0.020 (9) | −0.011 (9) |
| C32 | 0.185 (13) | 0.199 (14) | 0.188 (13) | 0.008 (11) | 0.017 (11) | −0.014 (12) |
| C33 | 0.195 (16) | 0.211 (16) | 0.197 (15) | 0.000 (12) | 0.019 (13) | −0.021 (12) |
| C34 | 0.212 (16) | 0.219 (15) | 0.215 (16) | −0.020 (14) | 0.031 (13) | −0.012 (13) |
| I1 | 0.0582 (2) | 0.0995 (3) | 0.0634 (2) | 0.00331 (16) | 0.02620 (15) | 0.00944 (16) |
| I2 | 0.0692 (2) | 0.0546 (2) | 0.0881 (3) | 0.01550 (14) | 0.01370 (17) | 0.00181 (15) |
| N1 | 0.0402 (15) | 0.0457 (17) | 0.0419 (16) | 0.0035 (13) | 0.0048 (12) | −0.0004 (13) |
| N2 | 0.0466 (17) | 0.0403 (16) | 0.0478 (17) | 0.0002 (13) | 0.0066 (14) | −0.0011 (13) |
| N3 | 0.073 (2) | 0.058 (2) | 0.067 (2) | 0.010 (2) | 0.026 (2) | −0.0115 (19) |
| Zn1 | 0.0455 (3) | 0.0479 (3) | 0.0521 (3) | 0.00290 (19) | 0.01186 (19) | −0.0046 (2) |
| C1—N2 | 1.342 (5) | C20—C21 | 1.416 (6) |
| C1—C2 | 1.370 (6) | C21—C22 | 1.382 (6) |
| C1—H1 | 0.9300 | C21—C23 | 1.447 (6) |
| C2—C3 | 1.376 (7) | C22—H22 | 0.9300 |
| C2—H2 | 0.9300 | C23—C24 | 1.392 (7) |
| C3—C4 | 1.383 (6) | C23—C28 | 1.407 (6) |
| C3—H3 | 0.9300 | C24—C25 | 1.379 (7) |
| C4—C5 | 1.382 (6) | C24—H24 | 0.9300 |
| C4—H4 | 0.9300 | C25—C26 | 1.390 (8) |
| C5—N2 | 1.346 (5) | C25—H25 | 0.9300 |
| C5—C6 | 1.481 (5) | C26—C27 | 1.371 (8) |
| C6—N1 | 1.362 (5) | C26—H26 | 0.9300 |
| C6—C7 | 1.376 (5) | C27—C28 | 1.408 (7) |
| C7—C8 | 1.402 (6) | C27—H27 | 0.9300 |
| C7—H7 | 0.9300 | C28—N3 | 1.390 (7) |
| C8—C9 | 1.400 (6) | C29—N3 | 1.454 (7) |
| C8—C17 | 1.477 (5) | C29—C30 | 1.499 (12) |
| C9—C10 | 1.389 (5) | C29—H29A | 0.9700 |
| C9—H9 | 0.9300 | C29—H29B | 0.9700 |
| C10—N1 | 1.348 (5) | C30—C31 | 1.429 (14) |
| C10—C11 | 1.482 (6) | C30—H30A | 0.9700 |
| C11—C16 | 1.382 (7) | C30—H30B | 0.9700 |
| C11—C12 | 1.393 (7) | C31—C32 | 1.520 (16) |
| C12—C13 | 1.394 (8) | C31—H31A | 0.9700 |
| C12—H12 | 0.9300 | C31—H31B | 0.9700 |
| C13—C14 | 1.363 (11) | C32—C33 | 1.439 (17) |
| C13—H13 | 0.9300 | C32—H32A | 0.9700 |
| C14—C15 | 1.357 (11) | C32—H32B | 0.9700 |
| C14—H14 | 0.9300 | C33—C34 | 1.416 (17) |
| C15—C16 | 1.404 (8) | C33—H33A | 0.9700 |
| C15—H15 | 0.9300 | C33—H33B | 0.9700 |
| C16—H16 | 0.9300 | C34—H34A | 0.9600 |
| C17—C22 | 1.399 (6) | C34—H34B | 0.9600 |
| C17—C18 | 1.411 (6) | C34—H34C | 0.9600 |
| C18—C19 | 1.382 (6) | I1—Zn1 | 2.5396 (6) |
| C18—H18 | 0.9300 | I2—Zn1 | 2.5623 (6) |
| C19—C20 | 1.389 (7) | N1—Zn1 | 2.084 (3) |
| C19—H19 | 0.9300 | N2—Zn1 | 2.074 (3) |
| C20—N3 | 1.380 (6) | ||
| N2—C1—C2 | 122.5 (4) | C28—C23—C21 | 106.7 (4) |
| N2—C1—H1 | 118.7 | C25—C24—C23 | 119.1 (5) |
| C2—C1—H1 | 118.7 | C25—C24—H24 | 120.4 |
| C1—C2—C3 | 118.7 (4) | C23—C24—H24 | 120.4 |
| C1—C2—H2 | 120.7 | C24—C25—C26 | 120.7 (5) |
| C3—C2—H2 | 120.7 | C24—C25—H25 | 119.6 |
| C2—C3—C4 | 119.3 (4) | C26—C25—H25 | 119.6 |
| C2—C3—H3 | 120.4 | C27—C26—C25 | 122.3 (5) |
| C4—C3—H3 | 120.4 | C27—C26—H26 | 118.8 |
| C5—C4—C3 | 119.5 (4) | C25—C26—H26 | 118.8 |
| C5—C4—H4 | 120.3 | C26—C27—C28 | 116.9 (5) |
| C3—C4—H4 | 120.3 | C26—C27—H27 | 121.6 |
| N2—C5—C4 | 120.8 (4) | C28—C27—H27 | 121.6 |
| N2—C5—C6 | 115.7 (3) | N3—C28—C23 | 109.2 (4) |
| C4—C5—C6 | 123.5 (4) | N3—C28—C27 | 129.1 (5) |
| N1—C6—C7 | 122.2 (3) | C23—C28—C27 | 121.7 (5) |
| N1—C6—C5 | 116.1 (3) | N3—C29—C30 | 116.8 (7) |
| C7—C6—C5 | 121.6 (3) | N3—C29—H29A | 108.1 |
| C6—C7—C8 | 120.9 (4) | C30—C29—H29A | 108.1 |
| C6—C7—H7 | 119.5 | N3—C29—H29B | 108.1 |
| C8—C7—H7 | 119.5 | C30—C29—H29B | 108.1 |
| C9—C8—C7 | 115.9 (4) | H29A—C29—H29B | 107.3 |
| C9—C8—C17 | 122.4 (4) | C31—C30—C29 | 110.3 (10) |
| C7—C8—C17 | 121.7 (4) | C31—C30—H30A | 109.6 |
| C10—C9—C8 | 121.1 (4) | C29—C30—H30A | 109.6 |
| C10—C9—H9 | 119.4 | C31—C30—H30B | 109.6 |
| C8—C9—H9 | 119.4 | C29—C30—H30B | 109.6 |
| N1—C10—C9 | 121.8 (4) | H30A—C30—H30B | 108.1 |
| N1—C10—C11 | 117.2 (3) | C30—C31—C32 | 115.8 (12) |
| C9—C10—C11 | 121.0 (4) | C30—C31—H31A | 108.3 |
| C16—C11—C12 | 119.7 (5) | C32—C31—H31A | 108.3 |
| C16—C11—C10 | 120.2 (4) | C30—C31—H31B | 108.3 |
| C12—C11—C10 | 120.1 (4) | C32—C31—H31B | 108.3 |
| C11—C12—C13 | 119.5 (6) | H31A—C31—H31B | 107.4 |
| C11—C12—H12 | 120.2 | C33—C32—C31 | 106.1 (14) |
| C13—C12—H12 | 120.2 | C33—C32—H32A | 110.5 |
| C14—C13—C12 | 120.4 (7) | C31—C32—H32A | 110.5 |
| C14—C13—H13 | 119.8 | C33—C32—H32B | 110.5 |
| C12—C13—H13 | 119.8 | C31—C32—H32B | 110.5 |
| C15—C14—C13 | 120.5 (6) | H32A—C32—H32B | 108.7 |
| C15—C14—H14 | 119.8 | C34—C33—C32 | 118.6 (17) |
| C13—C14—H14 | 119.8 | C34—C33—H33A | 107.7 |
| C14—C15—C16 | 120.6 (7) | C32—C33—H33A | 107.7 |
| C14—C15—H15 | 119.7 | C34—C33—H33B | 107.7 |
| C16—C15—H15 | 119.7 | C32—C33—H33B | 107.7 |
| C11—C16—C15 | 119.2 (6) | H33A—C33—H33B | 107.1 |
| C11—C16—H16 | 120.4 | C33—C34—H34A | 109.5 |
| C15—C16—H16 | 120.4 | C33—C34—H34B | 109.5 |
| C22—C17—C18 | 119.1 (4) | H34A—C34—H34B | 109.5 |
| C22—C17—C8 | 121.1 (4) | C33—C34—H34C | 109.5 |
| C18—C17—C8 | 119.8 (4) | H34A—C34—H34C | 109.5 |
| C19—C18—C17 | 121.7 (4) | H34B—C34—H34C | 109.5 |
| C19—C18—H18 | 119.1 | C10—N1—C6 | 118.1 (3) |
| C17—C18—H18 | 119.1 | C10—N1—Zn1 | 128.1 (3) |
| C18—C19—C20 | 118.5 (4) | C6—N1—Zn1 | 113.0 (2) |
| C18—C19—H19 | 120.8 | C1—N2—C5 | 119.2 (4) |
| C20—C19—H19 | 120.8 | C1—N2—Zn1 | 126.4 (3) |
| N3—C20—C19 | 129.8 (4) | C5—N2—Zn1 | 114.0 (2) |
| N3—C20—C21 | 109.3 (4) | C20—N3—C28 | 108.6 (4) |
| C19—C20—C21 | 120.9 (4) | C20—N3—C29 | 126.5 (5) |
| C22—C21—C20 | 119.8 (4) | C28—N3—C29 | 125.0 (5) |
| C22—C21—C23 | 133.9 (4) | N2—Zn1—N1 | 80.09 (12) |
| C20—C21—C23 | 106.3 (4) | N2—Zn1—I1 | 110.98 (9) |
| C21—C22—C17 | 120.0 (4) | N1—Zn1—I1 | 113.09 (9) |
| C21—C22—H22 | 120.0 | N2—Zn1—I2 | 103.73 (9) |
| C17—C22—H22 | 120.0 | N1—Zn1—I2 | 121.83 (9) |
| C24—C23—C28 | 119.2 (4) | I1—Zn1—I2 | 118.56 (2) |
| C24—C23—C21 | 134.1 (4) | ||
| N2—C1—C2—C3 | −1.4 (7) | C21—C23—C24—C25 | −176.8 (4) |
| C1—C2—C3—C4 | 0.7 (7) | C23—C24—C25—C26 | −0.4 (7) |
| C2—C3—C4—C5 | 1.2 (7) | C24—C25—C26—C27 | −0.6 (8) |
| C3—C4—C5—N2 | −2.6 (7) | C25—C26—C27—C28 | 1.4 (8) |
| C3—C4—C5—C6 | 175.7 (4) | C24—C23—C28—N3 | −178.9 (4) |
| N2—C5—C6—N1 | −12.0 (5) | C21—C23—C28—N3 | −0.9 (5) |
| C4—C5—C6—N1 | 169.7 (4) | C24—C23—C28—C27 | 0.2 (7) |
| N2—C5—C6—C7 | 165.4 (4) | C21—C23—C28—C27 | 178.2 (4) |
| C4—C5—C6—C7 | −12.9 (6) | C26—C27—C28—N3 | 177.8 (5) |
| N1—C6—C7—C8 | −0.5 (6) | C26—C27—C28—C23 | −1.1 (7) |
| C5—C6—C7—C8 | −177.8 (4) | N3—C29—C30—C31 | 71.8 (12) |
| C6—C7—C8—C9 | −0.1 (6) | C29—C30—C31—C32 | 154.4 (11) |
| C6—C7—C8—C17 | 178.0 (4) | C30—C31—C32—C33 | 178.1 (13) |
| C7—C8—C9—C10 | 1.0 (6) | C31—C32—C33—C34 | 147.5 (16) |
| C17—C8—C9—C10 | −177.1 (4) | C9—C10—N1—C6 | 0.7 (5) |
| C8—C9—C10—N1 | −1.3 (6) | C11—C10—N1—C6 | 179.4 (4) |
| C8—C9—C10—C11 | 180.0 (4) | C9—C10—N1—Zn1 | 169.4 (3) |
| N1—C10—C11—C16 | −48.5 (6) | C11—C10—N1—Zn1 | −11.8 (5) |
| C9—C10—C11—C16 | 130.2 (5) | C7—C6—N1—C10 | 0.2 (5) |
| N1—C10—C11—C12 | 132.2 (4) | C5—C6—N1—C10 | 177.7 (3) |
| C9—C10—C11—C12 | −49.0 (6) | C7—C6—N1—Zn1 | −170.2 (3) |
| C16—C11—C12—C13 | 2.4 (8) | C5—C6—N1—Zn1 | 7.3 (4) |
| C10—C11—C12—C13 | −178.4 (5) | C2—C1—N2—C5 | 0.1 (6) |
| C11—C12—C13—C14 | 0.2 (10) | C2—C1—N2—Zn1 | 172.2 (3) |
| C12—C13—C14—C15 | −2.4 (11) | C4—C5—N2—C1 | 1.9 (6) |
| C13—C14—C15—C16 | 2.1 (11) | C6—C5—N2—C1 | −176.5 (3) |
| C12—C11—C16—C15 | −2.7 (8) | C4—C5—N2—Zn1 | −171.2 (3) |
| C10—C11—C16—C15 | 178.0 (5) | C6—C5—N2—Zn1 | 10.5 (4) |
| C14—C15—C16—C11 | 0.5 (10) | C19—C20—N3—C28 | 177.1 (5) |
| C9—C8—C17—C22 | 21.2 (6) | C21—C20—N3—C28 | −1.3 (5) |
| C7—C8—C17—C22 | −156.7 (4) | C19—C20—N3—C29 | −3.6 (9) |
| C9—C8—C17—C18 | −161.5 (4) | C21—C20—N3—C29 | 178.0 (5) |
| C7—C8—C17—C18 | 20.5 (6) | C23—C28—N3—C20 | 1.4 (5) |
| C22—C17—C18—C19 | 0.0 (7) | C27—C28—N3—C20 | −177.6 (5) |
| C8—C17—C18—C19 | −177.3 (5) | C23—C28—N3—C29 | −177.9 (5) |
| C17—C18—C19—C20 | 0.0 (8) | C27—C28—N3—C29 | 3.0 (9) |
| C18—C19—C20—N3 | −179.1 (5) | C30—C29—N3—C20 | −100.8 (8) |
| C18—C19—C20—C21 | −0.8 (8) | C30—C29—N3—C28 | 78.4 (9) |
| N3—C20—C21—C22 | −179.8 (4) | C1—N2—Zn1—N1 | −177.6 (3) |
| C19—C20—C21—C22 | 1.6 (7) | C5—N2—Zn1—N1 | −5.2 (3) |
| N3—C20—C21—C23 | 0.8 (5) | C1—N2—Zn1—I1 | 71.3 (3) |
| C19—C20—C21—C23 | −177.8 (4) | C5—N2—Zn1—I1 | −116.2 (3) |
| C20—C21—C22—C17 | −1.6 (6) | C1—N2—Zn1—I2 | −57.1 (3) |
| C23—C21—C22—C17 | 177.7 (4) | C5—N2—Zn1—I2 | 115.4 (3) |
| C18—C17—C22—C21 | 0.8 (6) | C10—N1—Zn1—N2 | −170.6 (3) |
| C8—C17—C22—C21 | 178.1 (4) | C6—N1—Zn1—N2 | −1.4 (2) |
| C22—C21—C23—C24 | −1.7 (8) | C10—N1—Zn1—I1 | −61.9 (3) |
| C20—C21—C23—C24 | 177.7 (5) | C6—N1—Zn1—I1 | 107.3 (2) |
| C22—C21—C23—C28 | −179.3 (5) | C10—N1—Zn1—I2 | 89.3 (3) |
| C20—C21—C23—C28 | 0.1 (5) | C6—N1—Zn1—I2 | −101.5 (2) |
| C28—C23—C24—C25 | 0.6 (6) |