| Literature DB >> 21582748 |
Si-Ping Tang1, Dai-Zhi Kuang, Yong-Lan Feng.
Abstract
In the title complex, [FeZn(C(5)H(5))(C(20)H(14)N(3))(C(12)H(8)N(2))](ClO(4))(2)·CH(3)CN, the Zn(II) atom is five-coordinated by a tridentate chelating 4'-ferrocenyl-2,2':6',2''-terpyridine (fctpy) ligand and a bidentate chelating 1,10-phenanthroline (phen) ligand in a distorted square-pyramidal environment with a phen N atom located at the apical position [Zn-N = 2.259 (4) Å]. The terpyridyl motif in each fctpy ligand is coplanar, but the cyclo-penta-dienyl ring is twisted by 9.5 (2)° out of coplanarity with each central pyridine. The two cyclo-penta-dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.5 (1)°. In addition, inter-molecular π-π inter-actions [centroid-centroid distance 3.753 (2) Å] are present between the cyclo-penta-dienyl and outer pyridyl rings of the fctpy ligands. One of the perchlorate anions is equally disordered over two positions.Entities:
Year: 2009 PMID: 21582748 PMCID: PMC2969299 DOI: 10.1107/S1600536809023939
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [FeZn(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3N | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 2756 reflections |
| θ = 2.3–22.5° | |
| µ = 1.23 mm−1 | |
| β = 97.739 (2)° | Block, dark red |
| 0.20 × 0.18 × 0.14 mm | |
| Bruker SMART APEX area-detector diffractometer | 7351 independent reflections |
| Radiation source: fine-focus sealed tube | 4504 reflections with |
| graphite | |
| φ and ω scans | θmax = 26.0°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 18927 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 | |
| 7351 reflections | (Δ/σ)max < 0.001 |
| 552 parameters | Δρmax = 0.69 e Å−3 |
| 76 restraints | Δρmin = −0.39 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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. |
| Occ. (<1) | |||||
| Zn1 | 0.20436 (4) | 0.80770 (5) | 0.44899 (2) | 0.0548 (2) | |
| Fe1 | 0.43574 (6) | 0.43885 (6) | 0.69019 (3) | 0.0600 (3) | |
| N1 | 0.0827 (3) | 0.7461 (3) | 0.48281 (16) | 0.0530 (10) | |
| N2 | 0.2680 (3) | 0.6996 (3) | 0.50269 (15) | 0.0456 (9) | |
| N3 | 0.3505 (3) | 0.8502 (3) | 0.44757 (15) | 0.0487 (9) | |
| N4 | 0.1387 (3) | 0.9140 (3) | 0.38969 (17) | 0.0518 (10) | |
| N5 | 0.1950 (3) | 0.7041 (3) | 0.36728 (16) | 0.0521 (10) | |
| C1 | −0.0112 (4) | 0.7820 (5) | 0.4727 (2) | 0.0634 (14) | |
| H1 | −0.0263 | 0.8416 | 0.4477 | 0.076* | |
| C2 | −0.0865 (4) | 0.7331 (5) | 0.4983 (3) | 0.0697 (15) | |
| H2 | −0.1513 | 0.7598 | 0.4909 | 0.084* | |
| C3 | −0.0647 (4) | 0.6452 (5) | 0.5345 (3) | 0.0733 (16) | |
| H3 | −0.1148 | 0.6110 | 0.5518 | 0.088* | |
| C4 | 0.0323 (4) | 0.6068 (4) | 0.5454 (2) | 0.0617 (14) | |
| H4 | 0.0481 | 0.5470 | 0.5702 | 0.074* | |
| C5 | 0.1050 (4) | 0.6588 (4) | 0.5190 (2) | 0.0491 (11) | |
| C6 | 0.2119 (3) | 0.6300 (4) | 0.52871 (19) | 0.0467 (11) | |
| C7 | 0.2552 (4) | 0.5428 (4) | 0.5613 (2) | 0.0508 (12) | |
| H7 | 0.2157 | 0.4935 | 0.5788 | 0.061* | |
| C8 | 0.3590 (4) | 0.5287 (4) | 0.56798 (19) | 0.0479 (11) | |
| C9 | 0.4157 (4) | 0.6051 (4) | 0.54125 (19) | 0.0496 (12) | |
| H9 | 0.4848 | 0.5989 | 0.5451 | 0.059* | |
| C10 | 0.3671 (4) | 0.6908 (4) | 0.50863 (19) | 0.0458 (11) | |
| C11 | 0.4155 (4) | 0.7804 (4) | 0.47865 (18) | 0.0468 (11) | |
| C12 | 0.5173 (4) | 0.7952 (4) | 0.4826 (2) | 0.0550 (12) | |
| H12 | 0.5608 | 0.7457 | 0.5037 | 0.066* | |
| C13 | 0.5535 (4) | 0.8837 (5) | 0.4551 (2) | 0.0630 (14) | |
| H13 | 0.6217 | 0.8961 | 0.4582 | 0.076* | |
| C14 | 0.4882 (4) | 0.9536 (4) | 0.4232 (2) | 0.0630 (14) | |
| H14 | 0.5117 | 1.0132 | 0.4035 | 0.076* | |
| C15 | 0.3877 (4) | 0.9350 (4) | 0.4203 (2) | 0.0573 (13) | |
| H15 | 0.3438 | 0.9833 | 0.3987 | 0.069* | |
| C16 | 0.4066 (4) | 0.4362 (4) | 0.6018 (2) | 0.0538 (12) | |
| C17 | 0.3564 (4) | 0.3479 (4) | 0.6261 (2) | 0.0607 (14) | |
| H17 | 0.2878 | 0.3366 | 0.6214 | 0.073* | |
| C18 | 0.4289 (5) | 0.2803 (4) | 0.6585 (2) | 0.0685 (15) | |
| H18 | 0.4163 | 0.2165 | 0.6787 | 0.082* | |
| C19 | 0.5223 (5) | 0.3254 (4) | 0.6551 (2) | 0.0627 (14) | |
| H19 | 0.5828 | 0.2968 | 0.6725 | 0.075* | |
| C20 | 0.5097 (4) | 0.4227 (4) | 0.6204 (2) | 0.0576 (13) | |
| H20 | 0.5602 | 0.4693 | 0.6116 | 0.069* | |
| C21 | 0.3877 (11) | 0.5856 (9) | 0.7185 (4) | 0.129 (4) | |
| H21 | 0.3529 | 0.6389 | 0.6950 | 0.154* | |
| C22 | 0.3467 (7) | 0.4982 (11) | 0.7467 (5) | 0.124 (3) | |
| H22 | 0.2790 | 0.4837 | 0.7456 | 0.149* | |
| C23 | 0.4231 (10) | 0.4371 (7) | 0.7766 (3) | 0.111 (3) | |
| H23 | 0.4161 | 0.3741 | 0.7988 | 0.133* | |
| C24 | 0.5111 (6) | 0.4856 (9) | 0.7677 (3) | 0.104 (3) | |
| H24 | 0.5747 | 0.4619 | 0.7827 | 0.125* | |
| C25 | 0.4876 (10) | 0.5776 (8) | 0.7318 (4) | 0.121 (3) | |
| H25 | 0.5337 | 0.6258 | 0.7190 | 0.145* | |
| C26 | 0.1117 (4) | 1.0154 (4) | 0.4009 (2) | 0.0639 (14) | |
| H26 | 0.1209 | 1.0405 | 0.4392 | 0.077* | |
| C27 | 0.0695 (4) | 1.0866 (5) | 0.3568 (3) | 0.0670 (15) | |
| H27 | 0.0495 | 1.1572 | 0.3660 | 0.080* | |
| C28 | 0.0580 (4) | 1.0523 (5) | 0.3007 (3) | 0.0664 (15) | |
| H28 | 0.0306 | 1.0999 | 0.2713 | 0.080* | |
| C29 | 0.0872 (4) | 0.9458 (4) | 0.2867 (2) | 0.0563 (13) | |
| C30 | 0.1280 (3) | 0.8781 (4) | 0.3332 (2) | 0.0495 (12) | |
| C31 | 0.1599 (4) | 0.7679 (4) | 0.3213 (2) | 0.0492 (11) | |
| C32 | 0.1538 (4) | 0.7321 (4) | 0.2627 (2) | 0.0590 (13) | |
| C33 | 0.1874 (4) | 0.6231 (5) | 0.2546 (3) | 0.0736 (16) | |
| H33 | 0.1850 | 0.5943 | 0.2172 | 0.088* | |
| C34 | 0.2231 (5) | 0.5604 (5) | 0.3014 (3) | 0.0786 (18) | |
| H34 | 0.2475 | 0.4897 | 0.2962 | 0.094* | |
| C35 | 0.2228 (4) | 0.6029 (4) | 0.3573 (2) | 0.0615 (14) | |
| H35 | 0.2434 | 0.5573 | 0.3890 | 0.074* | |
| C36 | 0.1118 (5) | 0.8027 (5) | 0.2176 (2) | 0.0738 (17) | |
| H36 | 0.1069 | 0.7788 | 0.1792 | 0.089* | |
| C37 | 0.0788 (4) | 0.9035 (5) | 0.2291 (2) | 0.0699 (16) | |
| H37 | 0.0496 | 0.9471 | 0.1984 | 0.084* | |
| Cl1 | 0.29132 (13) | 0.20924 (14) | 0.88948 (8) | 0.0823 (5) | |
| Cl2 | 0.20806 (12) | 0.95499 (13) | 0.58898 (6) | 0.0699 (4) | |
| O1 | 0.3151 (4) | 0.1246 (4) | 0.9303 (2) | 0.1066 (16) | |
| O2 | 0.1957 (5) | 0.1830 (4) | 0.8569 (2) | 0.1237 (19) | |
| O3 | 0.2817 (4) | 0.3093 (4) | 0.9178 (3) | 0.131 (2) | |
| O4 | 0.3644 (7) | 0.2106 (8) | 0.8557 (4) | 0.239 (5) | |
| O5 | 0.1906 (9) | 0.9774 (11) | 0.5280 (3) | 0.097 (4) | 0.502 (11) |
| O6 | 0.1369 (8) | 0.8737 (9) | 0.6006 (5) | 0.107 (4) | 0.502 (11) |
| O7 | 0.3013 (7) | 0.9012 (11) | 0.6063 (5) | 0.148 (6) | 0.502 (11) |
| O8 | 0.2057 (12) | 1.0547 (8) | 0.6190 (5) | 0.139 (5) | 0.502 (11) |
| O8' | 0.1199 (8) | 1.0109 (11) | 0.6002 (6) | 0.158 (6) | 0.498 (11) |
| O7' | 0.2833 (7) | 1.0053 (9) | 0.6292 (4) | 0.105 (4) | 0.498 (11) |
| O6' | 0.1978 (11) | 0.8411 (6) | 0.6059 (5) | 0.113 (4) | 0.498 (11) |
| O5' | 0.2334 (8) | 0.9585 (9) | 0.5319 (3) | 0.072 (3) | 0.498 (11) |
| N6 | 0.0755 (6) | 0.3618 (6) | 0.6461 (3) | 0.109 (2) | |
| C39 | 0.1134 (6) | 0.2945 (6) | 0.6748 (3) | 0.085 (2) | |
| C38 | 0.1642 (7) | 0.2102 (6) | 0.7123 (3) | 0.115 (3) | |
| H38A | 0.1617 | 0.1410 | 0.6917 | 0.173* | |
| H38B | 0.1321 | 0.2023 | 0.7465 | 0.173* | |
| H38C | 0.2325 | 0.2314 | 0.7233 | 0.173* |
| Zn1 | 0.0575 (4) | 0.0587 (4) | 0.0477 (4) | 0.0035 (3) | 0.0053 (3) | 0.0062 (3) |
| Fe1 | 0.0739 (6) | 0.0603 (5) | 0.0454 (4) | 0.0030 (4) | 0.0072 (4) | 0.0003 (3) |
| N1 | 0.052 (2) | 0.062 (3) | 0.045 (2) | −0.002 (2) | 0.0067 (19) | −0.0031 (19) |
| N2 | 0.048 (2) | 0.047 (2) | 0.041 (2) | −0.0035 (18) | 0.0045 (17) | 0.0043 (17) |
| N3 | 0.057 (2) | 0.050 (2) | 0.038 (2) | −0.002 (2) | 0.0055 (18) | 0.0031 (17) |
| N4 | 0.051 (2) | 0.055 (2) | 0.049 (2) | 0.006 (2) | 0.0072 (19) | −0.0014 (19) |
| N5 | 0.056 (2) | 0.052 (2) | 0.047 (2) | −0.001 (2) | 0.0021 (19) | 0.0006 (19) |
| C1 | 0.058 (3) | 0.070 (3) | 0.064 (3) | 0.003 (3) | 0.012 (3) | −0.007 (3) |
| C2 | 0.053 (3) | 0.086 (4) | 0.070 (4) | 0.012 (3) | 0.008 (3) | −0.013 (3) |
| C3 | 0.056 (3) | 0.085 (4) | 0.085 (4) | −0.011 (3) | 0.027 (3) | −0.020 (4) |
| C4 | 0.071 (4) | 0.057 (3) | 0.059 (3) | −0.008 (3) | 0.014 (3) | −0.003 (3) |
| C5 | 0.057 (3) | 0.046 (3) | 0.045 (3) | −0.006 (2) | 0.009 (2) | −0.006 (2) |
| C6 | 0.049 (3) | 0.054 (3) | 0.038 (2) | −0.004 (2) | 0.008 (2) | −0.003 (2) |
| C7 | 0.059 (3) | 0.048 (3) | 0.047 (3) | −0.006 (2) | 0.012 (2) | 0.006 (2) |
| C8 | 0.059 (3) | 0.045 (3) | 0.040 (2) | −0.003 (2) | 0.007 (2) | 0.000 (2) |
| C9 | 0.046 (3) | 0.054 (3) | 0.047 (3) | −0.005 (2) | 0.002 (2) | 0.001 (2) |
| C10 | 0.051 (3) | 0.049 (3) | 0.037 (2) | −0.006 (2) | 0.003 (2) | −0.002 (2) |
| C11 | 0.053 (3) | 0.050 (3) | 0.038 (2) | 0.001 (2) | 0.007 (2) | −0.001 (2) |
| C12 | 0.054 (3) | 0.060 (3) | 0.051 (3) | 0.002 (3) | 0.008 (2) | 0.006 (2) |
| C13 | 0.061 (3) | 0.075 (4) | 0.054 (3) | −0.016 (3) | 0.014 (3) | 0.004 (3) |
| C14 | 0.076 (4) | 0.060 (3) | 0.055 (3) | −0.014 (3) | 0.019 (3) | 0.010 (3) |
| C15 | 0.071 (4) | 0.050 (3) | 0.051 (3) | 0.000 (3) | 0.010 (3) | 0.012 (2) |
| C16 | 0.067 (3) | 0.048 (3) | 0.047 (3) | −0.003 (2) | 0.007 (2) | 0.001 (2) |
| C17 | 0.071 (4) | 0.053 (3) | 0.058 (3) | −0.008 (3) | 0.007 (3) | 0.009 (2) |
| C18 | 0.093 (4) | 0.054 (3) | 0.058 (3) | 0.004 (3) | 0.009 (3) | 0.014 (3) |
| C19 | 0.073 (4) | 0.056 (3) | 0.059 (3) | 0.016 (3) | 0.007 (3) | 0.004 (2) |
| C20 | 0.071 (4) | 0.048 (3) | 0.053 (3) | 0.004 (3) | 0.005 (3) | 0.001 (2) |
| C21 | 0.188 (11) | 0.107 (7) | 0.085 (6) | 0.044 (8) | −0.001 (8) | −0.031 (5) |
| C22 | 0.102 (7) | 0.167 (10) | 0.112 (7) | −0.004 (7) | 0.046 (6) | −0.060 (7) |
| C23 | 0.168 (9) | 0.114 (6) | 0.057 (4) | −0.006 (7) | 0.035 (5) | −0.002 (4) |
| C24 | 0.095 (6) | 0.154 (8) | 0.058 (4) | 0.024 (6) | −0.013 (4) | −0.028 (5) |
| C25 | 0.182 (10) | 0.104 (6) | 0.081 (6) | −0.055 (7) | 0.031 (7) | −0.046 (5) |
| C26 | 0.068 (3) | 0.056 (3) | 0.068 (3) | 0.007 (3) | 0.010 (3) | −0.002 (3) |
| C27 | 0.062 (3) | 0.057 (3) | 0.081 (4) | 0.013 (3) | 0.007 (3) | 0.008 (3) |
| C28 | 0.059 (3) | 0.071 (4) | 0.067 (4) | 0.003 (3) | 0.002 (3) | 0.016 (3) |
| C29 | 0.057 (3) | 0.060 (3) | 0.052 (3) | 0.002 (3) | 0.006 (2) | 0.008 (2) |
| C30 | 0.042 (3) | 0.056 (3) | 0.049 (3) | −0.005 (2) | 0.000 (2) | 0.008 (2) |
| C31 | 0.048 (3) | 0.049 (3) | 0.050 (3) | −0.001 (2) | 0.006 (2) | −0.001 (2) |
| C32 | 0.064 (3) | 0.069 (3) | 0.044 (3) | −0.005 (3) | 0.007 (2) | −0.001 (2) |
| C33 | 0.086 (4) | 0.077 (4) | 0.059 (4) | 0.000 (3) | 0.015 (3) | −0.022 (3) |
| C34 | 0.101 (5) | 0.060 (3) | 0.074 (4) | 0.002 (3) | 0.011 (4) | −0.011 (3) |
| C35 | 0.071 (4) | 0.051 (3) | 0.061 (3) | 0.004 (3) | 0.005 (3) | −0.002 (2) |
| C36 | 0.088 (4) | 0.086 (4) | 0.045 (3) | −0.009 (4) | 0.002 (3) | −0.002 (3) |
| C37 | 0.078 (4) | 0.084 (4) | 0.045 (3) | 0.002 (3) | 0.000 (3) | 0.014 (3) |
| Cl1 | 0.0835 (11) | 0.0773 (10) | 0.0883 (11) | 0.0114 (9) | 0.0201 (9) | 0.0003 (9) |
| Cl2 | 0.0786 (10) | 0.0795 (10) | 0.0535 (8) | −0.0053 (8) | 0.0158 (7) | −0.0020 (7) |
| O1 | 0.110 (4) | 0.079 (3) | 0.122 (4) | −0.010 (3) | −0.017 (3) | 0.013 (3) |
| O2 | 0.138 (5) | 0.129 (4) | 0.092 (3) | 0.022 (4) | −0.028 (3) | −0.025 (3) |
| O3 | 0.114 (4) | 0.079 (3) | 0.186 (6) | 0.019 (3) | −0.038 (4) | −0.044 (3) |
| O4 | 0.218 (8) | 0.266 (10) | 0.274 (9) | 0.077 (8) | 0.186 (8) | 0.118 (8) |
| O5 | 0.105 (7) | 0.109 (6) | 0.076 (5) | 0.011 (5) | 0.007 (4) | 0.018 (4) |
| O6 | 0.092 (6) | 0.138 (6) | 0.096 (6) | −0.028 (5) | 0.036 (5) | 0.005 (5) |
| O7 | 0.136 (7) | 0.161 (7) | 0.143 (7) | 0.014 (5) | 0.002 (5) | 0.008 (5) |
| O8 | 0.161 (7) | 0.127 (6) | 0.129 (7) | 0.013 (5) | 0.013 (5) | −0.044 (5) |
| O8' | 0.130 (7) | 0.172 (8) | 0.175 (8) | 0.021 (5) | 0.032 (5) | 0.004 (5) |
| O7' | 0.100 (6) | 0.130 (6) | 0.083 (5) | −0.022 (5) | 0.002 (4) | −0.014 (4) |
| O6' | 0.143 (7) | 0.099 (6) | 0.097 (6) | 0.007 (5) | 0.019 (5) | 0.014 (4) |
| O5' | 0.083 (5) | 0.082 (5) | 0.055 (4) | −0.016 (4) | 0.023 (4) | −0.007 (4) |
| N6 | 0.135 (6) | 0.103 (5) | 0.086 (5) | −0.011 (4) | 0.009 (4) | −0.021 (4) |
| C39 | 0.110 (6) | 0.087 (5) | 0.063 (4) | −0.021 (4) | 0.029 (4) | −0.021 (4) |
| C38 | 0.140 (7) | 0.113 (6) | 0.096 (5) | −0.010 (6) | 0.029 (5) | 0.014 (5) |
| Zn1—N2 | 1.925 (4) | C17—H17 | 0.9300 |
| Zn1—N4 | 2.000 (4) | C18—C19 | 1.390 (8) |
| Zn1—N3 | 2.050 (4) | C18—H18 | 0.9300 |
| Zn1—N1 | 2.057 (4) | C19—C20 | 1.421 (7) |
| Zn1—N5 | 2.259 (4) | C19—H19 | 0.9300 |
| Fe1—C25 | 2.013 (7) | C20—H20 | 0.9300 |
| Fe1—C20 | 2.021 (5) | C21—C25 | 1.349 (13) |
| Fe1—C24 | 2.022 (6) | C21—C22 | 1.397 (13) |
| Fe1—C22 | 2.027 (8) | C21—H21 | 0.9300 |
| Fe1—C21 | 2.028 (8) | C22—C23 | 1.380 (12) |
| Fe1—C23 | 2.031 (7) | C22—H22 | 0.9300 |
| Fe1—C16 | 2.031 (5) | C23—C24 | 1.368 (11) |
| Fe1—C17 | 2.034 (5) | C23—H23 | 0.9300 |
| Fe1—C19 | 2.043 (5) | C24—C25 | 1.400 (11) |
| Fe1—C18 | 2.050 (6) | C24—H24 | 0.9300 |
| N1—C1 | 1.334 (6) | C25—H25 | 0.9300 |
| N1—C5 | 1.356 (6) | C26—C27 | 1.396 (7) |
| N2—C6 | 1.331 (6) | C26—H26 | 0.9300 |
| N2—C10 | 1.335 (6) | C27—C28 | 1.354 (8) |
| N3—C15 | 1.337 (6) | C27—H27 | 0.9300 |
| N3—C11 | 1.355 (6) | C28—C29 | 1.398 (7) |
| N4—C26 | 1.316 (6) | C28—H28 | 0.9300 |
| N4—C30 | 1.366 (6) | C29—C30 | 1.407 (6) |
| N5—C35 | 1.310 (6) | C29—C37 | 1.419 (6) |
| N5—C31 | 1.350 (6) | C30—C31 | 1.439 (7) |
| C1—C2 | 1.379 (8) | C31—C32 | 1.415 (6) |
| C1—H1 | 0.9300 | C32—C36 | 1.409 (6) |
| C2—C3 | 1.361 (8) | C32—C33 | 1.416 (8) |
| C2—H2 | 0.9300 | C33—C34 | 1.357 (8) |
| C3—C4 | 1.384 (8) | C33—H33 | 0.9300 |
| C3—H3 | 0.9300 | C34—C35 | 1.393 (8) |
| C4—C5 | 1.380 (7) | C34—H34 | 0.9300 |
| C4—H4 | 0.9300 | C35—H35 | 0.9300 |
| C5—C6 | 1.476 (7) | C36—C37 | 1.336 (7) |
| C6—C7 | 1.380 (6) | C36—H36 | 0.9300 |
| C7—C8 | 1.404 (7) | C37—H37 | 0.9300 |
| C7—H7 | 0.9300 | Cl1—O4 | 1.342 (7) |
| C8—C9 | 1.398 (6) | Cl1—O3 | 1.391 (5) |
| C8—C16 | 1.465 (6) | Cl1—O1 | 1.400 (5) |
| C9—C10 | 1.395 (6) | Cl1—O2 | 1.443 (5) |
| C9—H9 | 0.9300 | Cl2—O8 | 1.393 (7) |
| C10—C11 | 1.486 (6) | Cl2—O5' | 1.411 (6) |
| C11—C12 | 1.381 (7) | Cl2—O7' | 1.421 (7) |
| C12—C13 | 1.369 (7) | Cl2—O8' | 1.426 (8) |
| C12—H12 | 0.9300 | Cl2—O6 | 1.427 (7) |
| C13—C14 | 1.367 (7) | Cl2—O5 | 1.427 (7) |
| C13—H13 | 0.9300 | Cl2—O7 | 1.429 (8) |
| C14—C15 | 1.373 (7) | Cl2—O6' | 1.443 (7) |
| C14—H14 | 0.9300 | N6—C39 | 1.129 (9) |
| C15—H15 | 0.9300 | C39—C38 | 1.451 (10) |
| C16—C20 | 1.414 (7) | C38—H38A | 0.9600 |
| C16—C17 | 1.421 (7) | C38—H38B | 0.9600 |
| C17—C18 | 1.414 (7) | C38—H38C | 0.9600 |
| N2—Zn1—N4 | 176.86 (16) | C16—C17—H17 | 126.0 |
| N2—Zn1—N3 | 80.30 (15) | Fe1—C17—H17 | 125.8 |
| N4—Zn1—N3 | 99.75 (15) | C19—C18—C17 | 108.3 (5) |
| N2—Zn1—N1 | 79.61 (16) | C19—C18—Fe1 | 69.9 (3) |
| N4—Zn1—N1 | 100.90 (16) | C17—C18—Fe1 | 69.1 (3) |
| N3—Zn1—N1 | 157.18 (15) | C19—C18—H18 | 125.8 |
| N2—Zn1—N5 | 97.73 (15) | C17—C18—H18 | 125.8 |
| N4—Zn1—N5 | 79.13 (15) | Fe1—C18—H18 | 126.7 |
| N3—Zn1—N5 | 94.09 (15) | C18—C19—C20 | 108.5 (5) |
| N1—Zn1—N5 | 99.23 (15) | C18—C19—Fe1 | 70.4 (3) |
| C25—Fe1—C20 | 106.5 (3) | C20—C19—Fe1 | 68.7 (3) |
| C25—Fe1—C24 | 40.6 (3) | C18—C19—H19 | 125.8 |
| C20—Fe1—C24 | 119.4 (3) | C20—C19—H19 | 125.8 |
| C25—Fe1—C22 | 66.1 (4) | Fe1—C19—H19 | 126.6 |
| C20—Fe1—C22 | 162.2 (5) | C16—C20—C19 | 107.8 (5) |
| C24—Fe1—C22 | 66.5 (3) | C16—C20—Fe1 | 69.9 (3) |
| C25—Fe1—C21 | 39.0 (4) | C19—C20—Fe1 | 70.3 (3) |
| C20—Fe1—C21 | 123.9 (4) | C16—C20—H20 | 126.1 |
| C24—Fe1—C21 | 67.3 (4) | C19—C20—H20 | 126.1 |
| C22—Fe1—C21 | 40.3 (4) | Fe1—C20—H20 | 125.2 |
| C25—Fe1—C23 | 66.9 (3) | C25—C21—C22 | 106.8 (9) |
| C20—Fe1—C23 | 154.5 (4) | C25—C21—Fe1 | 69.9 (5) |
| C24—Fe1—C23 | 39.5 (3) | C22—C21—Fe1 | 69.8 (5) |
| C22—Fe1—C23 | 39.7 (4) | C25—C21—H21 | 126.6 |
| C21—Fe1—C23 | 67.5 (4) | C22—C21—H21 | 126.6 |
| C25—Fe1—C16 | 120.2 (3) | Fe1—C21—H21 | 125.3 |
| C20—Fe1—C16 | 40.9 (2) | C23—C22—C21 | 108.7 (9) |
| C24—Fe1—C16 | 154.8 (4) | C23—C22—Fe1 | 70.3 (5) |
| C22—Fe1—C16 | 127.2 (4) | C21—C22—Fe1 | 69.9 (5) |
| C21—Fe1—C16 | 108.2 (3) | C23—C22—H22 | 125.6 |
| C23—Fe1—C16 | 164.0 (4) | C21—C22—H22 | 125.6 |
| C25—Fe1—C17 | 156.3 (4) | Fe1—C22—H22 | 125.8 |
| C20—Fe1—C17 | 68.6 (2) | C24—C23—C22 | 107.7 (8) |
| C24—Fe1—C17 | 162.3 (4) | C24—C23—Fe1 | 69.9 (4) |
| C22—Fe1—C17 | 111.2 (3) | C22—C23—Fe1 | 70.0 (4) |
| C21—Fe1—C17 | 123.2 (4) | C24—C23—H23 | 126.1 |
| C23—Fe1—C17 | 127.4 (3) | C22—C23—H23 | 126.1 |
| C16—Fe1—C17 | 40.90 (19) | Fe1—C23—H23 | 125.5 |
| C25—Fe1—C19 | 124.6 (4) | C23—C24—C25 | 107.3 (8) |
| C20—Fe1—C19 | 40.93 (19) | C23—C24—Fe1 | 70.6 (4) |
| C24—Fe1—C19 | 107.0 (3) | C25—C24—Fe1 | 69.3 (4) |
| C22—Fe1—C19 | 156.6 (5) | C23—C24—H24 | 126.3 |
| C21—Fe1—C19 | 160.4 (5) | C25—C24—H24 | 126.3 |
| C23—Fe1—C19 | 120.9 (4) | Fe1—C24—H24 | 125.3 |
| C16—Fe1—C19 | 68.4 (2) | C21—C25—C24 | 109.4 (9) |
| C17—Fe1—C19 | 67.8 (2) | C21—C25—Fe1 | 71.1 (5) |
| C25—Fe1—C18 | 161.1 (5) | C24—C25—Fe1 | 70.1 (4) |
| C20—Fe1—C18 | 68.1 (2) | C21—C25—H25 | 125.3 |
| C24—Fe1—C18 | 124.9 (3) | C24—C25—H25 | 125.3 |
| C22—Fe1—C18 | 124.1 (4) | Fe1—C25—H25 | 125.2 |
| C21—Fe1—C18 | 158.8 (5) | N4—C26—C27 | 121.9 (5) |
| C23—Fe1—C18 | 109.7 (3) | N4—C26—H26 | 119.1 |
| C16—Fe1—C18 | 68.38 (19) | C27—C26—H26 | 119.1 |
| C17—Fe1—C18 | 40.5 (2) | C28—C27—C26 | 119.8 (5) |
| C19—Fe1—C18 | 39.7 (2) | C28—C27—H27 | 120.1 |
| C1—N1—C5 | 119.3 (5) | C26—C27—H27 | 120.1 |
| C1—N1—Zn1 | 127.5 (4) | C27—C28—C29 | 120.3 (5) |
| C5—N1—Zn1 | 113.2 (3) | C27—C28—H28 | 119.8 |
| C6—N2—C10 | 122.0 (4) | C29—C28—H28 | 119.8 |
| C6—N2—Zn1 | 119.3 (3) | C28—C29—C30 | 116.9 (5) |
| C10—N2—Zn1 | 118.5 (3) | C28—C29—C37 | 124.2 (5) |
| C15—N3—C11 | 118.0 (4) | C30—C29—C37 | 119.0 (5) |
| C15—N3—Zn1 | 128.7 (3) | N4—C30—C29 | 122.0 (4) |
| C11—N3—Zn1 | 113.3 (3) | N4—C30—C31 | 118.8 (4) |
| C26—N4—C30 | 119.2 (4) | C29—C30—C31 | 119.2 (4) |
| C26—N4—Zn1 | 125.0 (4) | N5—C31—C32 | 123.4 (4) |
| C30—N4—Zn1 | 115.7 (3) | N5—C31—C30 | 117.4 (4) |
| C35—N5—C31 | 118.3 (4) | C32—C31—C30 | 119.2 (4) |
| C35—N5—Zn1 | 132.9 (3) | C36—C32—C31 | 119.4 (5) |
| C31—N5—Zn1 | 108.6 (3) | C36—C32—C33 | 124.8 (5) |
| N1—C1—C2 | 121.8 (5) | C31—C32—C33 | 115.7 (4) |
| N1—C1—H1 | 119.1 | C34—C33—C32 | 120.0 (5) |
| C2—C1—H1 | 119.1 | C34—C33—H33 | 120.0 |
| C3—C2—C1 | 119.2 (5) | C32—C33—H33 | 120.0 |
| C3—C2—H2 | 120.4 | C33—C34—C35 | 119.4 (5) |
| C1—C2—H2 | 120.4 | C33—C34—H34 | 120.3 |
| C2—C3—C4 | 119.8 (6) | C35—C34—H34 | 120.3 |
| C2—C3—H3 | 120.1 | N5—C35—C34 | 123.0 (5) |
| C4—C3—H3 | 120.1 | N5—C35—H35 | 118.5 |
| C5—C4—C3 | 118.8 (5) | C34—C35—H35 | 118.5 |
| C5—C4—H4 | 120.6 | C37—C36—C32 | 121.2 (5) |
| C3—C4—H4 | 120.6 | C37—C36—H36 | 119.4 |
| N1—C5—C4 | 121.1 (5) | C32—C36—H36 | 119.4 |
| N1—C5—C6 | 114.2 (4) | C36—C37—C29 | 122.0 (5) |
| C4—C5—C6 | 124.7 (4) | C36—C37—H37 | 119.0 |
| N2—C6—C7 | 120.3 (4) | C29—C37—H37 | 119.0 |
| N2—C6—C5 | 112.9 (4) | O4—Cl1—O3 | 112.8 (6) |
| C7—C6—C5 | 126.8 (4) | O4—Cl1—O1 | 106.3 (4) |
| C6—C7—C8 | 119.9 (4) | O3—Cl1—O1 | 110.2 (3) |
| C6—C7—H7 | 120.1 | O4—Cl1—O2 | 112.2 (6) |
| C8—C7—H7 | 120.1 | O3—Cl1—O2 | 107.7 (3) |
| C9—C8—C7 | 118.2 (4) | O1—Cl1—O2 | 107.5 (3) |
| C9—C8—C16 | 120.9 (4) | O8—Cl2—O5' | 117.8 (7) |
| C7—C8—C16 | 120.9 (4) | O8—Cl2—O7' | 50.7 (6) |
| C10—C9—C8 | 118.9 (4) | O5'—Cl2—O7' | 111.0 (6) |
| C10—C9—H9 | 120.5 | O8—Cl2—O8' | 54.7 (7) |
| C8—C9—H9 | 120.5 | O5'—Cl2—O8' | 118.1 (7) |
| N2—C10—C9 | 120.7 (4) | O7'—Cl2—O8' | 102.8 (7) |
| N2—C10—C11 | 113.3 (4) | O8—Cl2—O6 | 116.1 (7) |
| C9—C10—C11 | 126.1 (4) | O5'—Cl2—O6 | 116.9 (6) |
| N3—C11—C12 | 121.7 (4) | O7'—Cl2—O6 | 127.8 (6) |
| N3—C11—C10 | 114.0 (4) | O8'—Cl2—O6 | 71.9 (7) |
| C12—C11—C10 | 124.3 (4) | O8—Cl2—O5 | 108.5 (7) |
| C13—C12—C11 | 119.1 (5) | O7'—Cl2—O5 | 125.2 (7) |
| C13—C12—H12 | 120.4 | O8'—Cl2—O5 | 93.4 (7) |
| C11—C12—H12 | 120.4 | O6—Cl2—O5 | 107.0 (7) |
| C14—C13—C12 | 119.4 (5) | O8—Cl2—O7 | 109.4 (7) |
| C14—C13—H13 | 120.3 | O5'—Cl2—O7 | 87.7 (7) |
| C12—C13—H13 | 120.3 | O7'—Cl2—O7 | 58.8 (6) |
| C13—C14—C15 | 119.3 (5) | O8'—Cl2—O7 | 153.4 (7) |
| C13—C14—H14 | 120.4 | O6—Cl2—O7 | 103.1 (7) |
| C15—C14—H14 | 120.4 | O5—Cl2—O7 | 112.8 (7) |
| N3—C15—C14 | 122.5 (5) | O8—Cl2—O6' | 132.9 (7) |
| N3—C15—H15 | 118.8 | O5'—Cl2—O6' | 109.1 (6) |
| C14—C15—H15 | 118.8 | O7'—Cl2—O6' | 108.5 (6) |
| C20—C16—C17 | 107.4 (4) | O8'—Cl2—O6' | 106.8 (7) |
| C20—C16—C8 | 126.5 (5) | O5—Cl2—O6' | 116.2 (7) |
| C17—C16—C8 | 125.9 (5) | O7—Cl2—O6' | 66.7 (7) |
| C20—C16—Fe1 | 69.2 (3) | N6—C39—C38 | 178.4 (9) |
| C17—C16—Fe1 | 69.7 (3) | C39—C38—H38A | 109.5 |
| C8—C16—Fe1 | 122.6 (3) | C39—C38—H38B | 109.5 |
| C18—C17—C16 | 108.0 (5) | H38A—C38—H38B | 109.5 |
| C18—C17—Fe1 | 70.3 (3) | C39—C38—H38C | 109.5 |
| C16—C17—Fe1 | 69.4 (3) | H38A—C38—H38C | 109.5 |
| C18—C17—H17 | 126.0 | H38B—C38—H38C | 109.5 |
| N2—Zn1—N1—C1 | 174.4 (4) | C25—Fe1—C19—C20 | −74.4 (5) |
| N4—Zn1—N1—C1 | −8.7 (4) | C24—Fe1—C19—C20 | −115.5 (5) |
| N3—Zn1—N1—C1 | 145.7 (4) | C22—Fe1—C19—C20 | 174.6 (7) |
| N5—Zn1—N1—C1 | −89.3 (4) | C21—Fe1—C19—C20 | −45.5 (10) |
| N2—Zn1—N1—C5 | −5.9 (3) | C23—Fe1—C19—C20 | −156.3 (5) |
| N4—Zn1—N1—C5 | 170.9 (3) | C16—Fe1—C19—C20 | 38.2 (3) |
| N3—Zn1—N1—C5 | −34.6 (6) | C17—Fe1—C19—C20 | 82.4 (3) |
| N5—Zn1—N1—C5 | 90.3 (3) | C18—Fe1—C19—C20 | 119.9 (5) |
| N3—Zn1—N2—C6 | 177.7 (3) | C17—C16—C20—C19 | 1.0 (6) |
| N1—Zn1—N2—C6 | 8.6 (3) | C8—C16—C20—C19 | 176.3 (4) |
| N5—Zn1—N2—C6 | −89.4 (3) | Fe1—C16—C20—C19 | 60.4 (3) |
| N3—Zn1—N2—C10 | −8.1 (3) | C17—C16—C20—Fe1 | −59.4 (3) |
| N1—Zn1—N2—C10 | −177.2 (4) | C8—C16—C20—Fe1 | 115.8 (5) |
| N5—Zn1—N2—C10 | 84.8 (3) | C18—C19—C20—C16 | −0.8 (6) |
| N2—Zn1—N3—C15 | −175.2 (4) | Fe1—C19—C20—C16 | −60.2 (4) |
| N4—Zn1—N3—C15 | 8.0 (4) | C18—C19—C20—Fe1 | 59.4 (4) |
| N1—Zn1—N3—C15 | −146.6 (4) | C25—Fe1—C20—C16 | −117.4 (5) |
| N5—Zn1—N3—C15 | 87.7 (4) | C24—Fe1—C20—C16 | −159.5 (4) |
| N2—Zn1—N3—C11 | 5.2 (3) | C22—Fe1—C20—C16 | −54.6 (11) |
| N4—Zn1—N3—C11 | −171.6 (3) | C21—Fe1—C20—C16 | −78.4 (5) |
| N1—Zn1—N3—C11 | 33.8 (6) | C23—Fe1—C20—C16 | 171.8 (6) |
| N5—Zn1—N3—C11 | −91.9 (3) | C17—Fe1—C20—C16 | 38.1 (3) |
| N3—Zn1—N4—C26 | −87.6 (4) | C19—Fe1—C20—C16 | 118.4 (4) |
| N1—Zn1—N4—C26 | 82.6 (4) | C18—Fe1—C20—C16 | 81.8 (3) |
| N5—Zn1—N4—C26 | −180.0 (5) | C25—Fe1—C20—C19 | 124.2 (5) |
| N3—Zn1—N4—C30 | 88.0 (3) | C24—Fe1—C20—C19 | 82.1 (5) |
| N1—Zn1—N4—C30 | −101.8 (3) | C22—Fe1—C20—C19 | −173.0 (10) |
| N5—Zn1—N4—C30 | −4.4 (3) | C21—Fe1—C20—C19 | 163.2 (5) |
| N2—Zn1—N5—C35 | −0.1 (5) | C23—Fe1—C20—C19 | 53.4 (8) |
| N4—Zn1—N5—C35 | 179.8 (5) | C16—Fe1—C20—C19 | −118.4 (4) |
| N3—Zn1—N5—C35 | 80.6 (5) | C17—Fe1—C20—C19 | −80.4 (3) |
| N1—Zn1—N5—C35 | −80.8 (5) | C18—Fe1—C20—C19 | −36.6 (3) |
| N2—Zn1—N5—C31 | −174.4 (3) | C20—Fe1—C21—C25 | −73.5 (7) |
| N4—Zn1—N5—C31 | 5.6 (3) | C24—Fe1—C21—C25 | 37.7 (6) |
| N3—Zn1—N5—C31 | −93.6 (3) | C22—Fe1—C21—C25 | 117.5 (9) |
| N1—Zn1—N5—C31 | 105.0 (3) | C23—Fe1—C21—C25 | 80.6 (6) |
| C5—N1—C1—C2 | 0.3 (7) | C16—Fe1—C21—C25 | −115.9 (6) |
| Zn1—N1—C1—C2 | 180.0 (4) | C17—Fe1—C21—C25 | −158.5 (5) |
| N1—C1—C2—C3 | −0.6 (8) | C19—Fe1—C21—C25 | −39.2 (13) |
| C1—C2—C3—C4 | 0.5 (8) | C18—Fe1—C21—C25 | 167.2 (7) |
| C2—C3—C4—C5 | −0.3 (8) | C25—Fe1—C21—C22 | −117.5 (9) |
| C1—N1—C5—C4 | −0.1 (7) | C20—Fe1—C21—C22 | 169.0 (6) |
| Zn1—N1—C5—C4 | −179.8 (4) | C24—Fe1—C21—C22 | −79.8 (6) |
| C1—N1—C5—C6 | −177.4 (4) | C23—Fe1—C21—C22 | −37.0 (6) |
| Zn1—N1—C5—C6 | 2.9 (5) | C16—Fe1—C21—C22 | 126.6 (6) |
| C3—C4—C5—N1 | 0.1 (7) | C17—Fe1—C21—C22 | 84.0 (7) |
| C3—C4—C5—C6 | 177.1 (5) | C19—Fe1—C21—C22 | −156.7 (8) |
| C10—N2—C6—C7 | −2.5 (7) | C18—Fe1—C21—C22 | 49.7 (11) |
| Zn1—N2—C6—C7 | 171.5 (3) | C25—C21—C22—C23 | −0.7 (10) |
| C10—N2—C6—C5 | 176.7 (4) | Fe1—C21—C22—C23 | 59.8 (6) |
| Zn1—N2—C6—C5 | −9.3 (5) | C25—C21—C22—Fe1 | −60.4 (6) |
| N1—C5—C6—N2 | 3.7 (6) | C25—Fe1—C22—C23 | −82.0 (6) |
| C4—C5—C6—N2 | −173.5 (4) | C20—Fe1—C22—C23 | −150.8 (9) |
| N1—C5—C6—C7 | −177.2 (4) | C24—Fe1—C22—C23 | −37.5 (5) |
| C4—C5—C6—C7 | 5.6 (8) | C21—Fe1—C22—C23 | −119.6 (8) |
| N2—C6—C7—C8 | 1.2 (7) | C16—Fe1—C22—C23 | 167.2 (5) |
| C5—C6—C7—C8 | −177.9 (4) | C17—Fe1—C22—C23 | 123.5 (6) |
| C6—C7—C8—C9 | 0.4 (7) | C19—Fe1—C22—C23 | 40.8 (11) |
| C6—C7—C8—C16 | −179.3 (4) | C18—Fe1—C22—C23 | 79.8 (6) |
| C7—C8—C9—C10 | −0.8 (6) | C25—Fe1—C22—C21 | 37.6 (6) |
| C16—C8—C9—C10 | 178.9 (4) | C20—Fe1—C22—C21 | −31.2 (14) |
| C6—N2—C10—C9 | 2.1 (7) | C24—Fe1—C22—C21 | 82.1 (6) |
| Zn1—N2—C10—C9 | −172.0 (3) | C23—Fe1—C22—C21 | 119.6 (8) |
| C6—N2—C10—C11 | −176.8 (4) | C16—Fe1—C22—C21 | −73.2 (7) |
| Zn1—N2—C10—C11 | 9.1 (5) | C17—Fe1—C22—C21 | −116.8 (6) |
| C8—C9—C10—N2 | −0.4 (7) | C19—Fe1—C22—C21 | 160.4 (8) |
| C8—C9—C10—C11 | 178.4 (4) | C18—Fe1—C22—C21 | −160.6 (6) |
| C15—N3—C11—C12 | 0.1 (6) | C21—C22—C23—C24 | 0.5 (9) |
| Zn1—N3—C11—C12 | 179.7 (4) | Fe1—C22—C23—C24 | 60.0 (5) |
| C15—N3—C11—C10 | 178.3 (4) | C21—C22—C23—Fe1 | −59.5 (6) |
| Zn1—N3—C11—C10 | −2.0 (5) | C25—Fe1—C23—C24 | −38.6 (6) |
| N2—C10—C11—N3 | −4.2 (5) | C20—Fe1—C23—C24 | 41.2 (10) |
| C9—C10—C11—N3 | 176.9 (4) | C22—Fe1—C23—C24 | −118.6 (8) |
| N2—C10—C11—C12 | 174.0 (4) | C21—Fe1—C23—C24 | −81.1 (6) |
| C9—C10—C11—C12 | −4.8 (7) | C16—Fe1—C23—C24 | −158.5 (9) |
| N3—C11—C12—C13 | 1.0 (7) | C17—Fe1—C23—C24 | 163.4 (5) |
| C10—C11—C12—C13 | −177.1 (4) | C19—Fe1—C23—C24 | 79.0 (6) |
| C11—C12—C13—C14 | −1.7 (8) | C18—Fe1—C23—C24 | 121.4 (6) |
| C12—C13—C14—C15 | 1.4 (8) | C25—Fe1—C23—C22 | 79.9 (6) |
| C11—N3—C15—C14 | −0.4 (7) | C20—Fe1—C23—C22 | 159.7 (7) |
| Zn1—N3—C15—C14 | −179.9 (4) | C24—Fe1—C23—C22 | 118.6 (8) |
| C13—C14—C15—N3 | −0.4 (8) | C21—Fe1—C23—C22 | 37.5 (6) |
| C9—C8—C16—C20 | 12.0 (7) | C16—Fe1—C23—C22 | −40.0 (13) |
| C7—C8—C16—C20 | −168.2 (5) | C17—Fe1—C23—C22 | −78.0 (7) |
| C9—C8—C16—C17 | −173.5 (5) | C19—Fe1—C23—C22 | −162.4 (6) |
| C7—C8—C16—C17 | 6.2 (7) | C18—Fe1—C23—C22 | −120.0 (6) |
| C9—C8—C16—Fe1 | 99.1 (5) | C22—C23—C24—C25 | −0.1 (9) |
| C7—C8—C16—Fe1 | −81.1 (5) | Fe1—C23—C24—C25 | 59.9 (5) |
| C25—Fe1—C16—C20 | 80.2 (5) | C22—C23—C24—Fe1 | −60.0 (5) |
| C24—Fe1—C16—C20 | 46.0 (7) | C25—Fe1—C24—C23 | 118.0 (8) |
| C22—Fe1—C16—C20 | 161.8 (5) | C20—Fe1—C24—C23 | −161.0 (5) |
| C21—Fe1—C16—C20 | 121.1 (6) | C22—Fe1—C24—C23 | 37.8 (6) |
| C23—Fe1—C16—C20 | −167.2 (10) | C21—Fe1—C24—C23 | 81.8 (6) |
| C17—Fe1—C16—C20 | −118.8 (4) | C16—Fe1—C24—C23 | 166.3 (6) |
| C19—Fe1—C16—C20 | −38.3 (3) | C17—Fe1—C24—C23 | −48.2 (11) |
| C18—Fe1—C16—C20 | −81.1 (3) | C19—Fe1—C24—C23 | −118.3 (6) |
| C25—Fe1—C16—C17 | −161.0 (5) | C18—Fe1—C24—C23 | −78.4 (6) |
| C20—Fe1—C16—C17 | 118.8 (4) | C20—Fe1—C24—C25 | 81.0 (7) |
| C24—Fe1—C16—C17 | 164.7 (6) | C22—Fe1—C24—C25 | −80.2 (7) |
| C22—Fe1—C16—C17 | −79.4 (6) | C21—Fe1—C24—C25 | −36.3 (6) |
| C21—Fe1—C16—C17 | −120.1 (6) | C23—Fe1—C24—C25 | −118.0 (8) |
| C23—Fe1—C16—C17 | −48.4 (11) | C16—Fe1—C24—C25 | 48.3 (9) |
| C19—Fe1—C16—C17 | 80.5 (3) | C17—Fe1—C24—C25 | −166.2 (8) |
| C18—Fe1—C16—C17 | 37.7 (3) | C19—Fe1—C24—C25 | 123.7 (6) |
| C25—Fe1—C16—C8 | −40.7 (7) | C18—Fe1—C24—C25 | 163.6 (6) |
| C20—Fe1—C16—C8 | −120.9 (5) | C22—C21—C25—C24 | 0.6 (9) |
| C24—Fe1—C16—C8 | −74.9 (8) | Fe1—C21—C25—C24 | −59.8 (5) |
| C22—Fe1—C16—C8 | 40.9 (7) | C22—C21—C25—Fe1 | 60.4 (6) |
| C21—Fe1—C16—C8 | 0.3 (7) | C23—C24—C25—C21 | −0.3 (9) |
| C23—Fe1—C16—C8 | 72.0 (11) | Fe1—C24—C25—C21 | 60.4 (6) |
| C17—Fe1—C16—C8 | 120.3 (6) | C23—C24—C25—Fe1 | −60.7 (5) |
| C19—Fe1—C16—C8 | −159.1 (5) | C20—Fe1—C25—C21 | 123.9 (7) |
| C18—Fe1—C16—C8 | 158.0 (5) | C24—Fe1—C25—C21 | −119.9 (9) |
| C20—C16—C17—C18 | −0.9 (6) | C22—Fe1—C25—C21 | −38.8 (6) |
| C8—C16—C17—C18 | −176.2 (5) | C23—Fe1—C25—C21 | −82.3 (7) |
| Fe1—C16—C17—C18 | −60.0 (4) | C16—Fe1—C25—C21 | 81.6 (7) |
| C20—C16—C17—Fe1 | 59.1 (3) | C17—Fe1—C25—C21 | 49.7 (11) |
| C8—C16—C17—Fe1 | −116.2 (5) | C19—Fe1—C25—C21 | 165.0 (6) |
| C25—Fe1—C17—C18 | 163.2 (8) | C18—Fe1—C25—C21 | −165.7 (8) |
| C20—Fe1—C17—C18 | 81.0 (4) | C20—Fe1—C25—C24 | −116.2 (6) |
| C24—Fe1—C17—C18 | −39.4 (10) | C22—Fe1—C25—C24 | 81.1 (6) |
| C22—Fe1—C17—C18 | −118.1 (6) | C21—Fe1—C25—C24 | 119.9 (9) |
| C21—Fe1—C17—C18 | −161.7 (6) | C23—Fe1—C25—C24 | 37.6 (5) |
| C23—Fe1—C17—C18 | −76.0 (6) | C16—Fe1—C25—C24 | −158.4 (5) |
| C16—Fe1—C17—C18 | 119.0 (5) | C17—Fe1—C25—C24 | 169.6 (6) |
| C19—Fe1—C17—C18 | 36.7 (3) | C19—Fe1—C25—C24 | −75.0 (6) |
| C25—Fe1—C17—C16 | 44.2 (10) | C18—Fe1—C25—C24 | −45.8 (12) |
| C20—Fe1—C17—C16 | −38.0 (3) | C30—N4—C26—C27 | 2.0 (8) |
| C24—Fe1—C17—C16 | −158.4 (9) | Zn1—N4—C26—C27 | 177.5 (4) |
| C22—Fe1—C17—C16 | 122.9 (6) | N4—C26—C27—C28 | −1.7 (9) |
| C21—Fe1—C17—C16 | 79.3 (6) | C26—C27—C28—C29 | 0.6 (9) |
| C23—Fe1—C17—C16 | 165.0 (5) | C27—C28—C29—C30 | 0.1 (8) |
| C19—Fe1—C17—C16 | −82.3 (3) | C27—C28—C29—C37 | −179.3 (6) |
| C18—Fe1—C17—C16 | −119.0 (5) | C26—N4—C30—C29 | −1.3 (7) |
| C16—C17—C18—C19 | 0.4 (6) | Zn1—N4—C30—C29 | −177.2 (4) |
| Fe1—C17—C18—C19 | −59.0 (4) | C26—N4—C30—C31 | 178.6 (5) |
| C16—C17—C18—Fe1 | 59.4 (3) | Zn1—N4—C30—C31 | 2.7 (6) |
| C25—Fe1—C18—C19 | −39.1 (10) | C28—C29—C30—N4 | 0.2 (7) |
| C20—Fe1—C18—C19 | 37.7 (3) | C37—C29—C30—N4 | 179.6 (5) |
| C24—Fe1—C18—C19 | −73.7 (5) | C28—C29—C30—C31 | −179.6 (5) |
| C22—Fe1—C18—C19 | −157.0 (5) | C37—C29—C30—C31 | −0.2 (7) |
| C21—Fe1—C18—C19 | 166.5 (9) | C35—N5—C31—C32 | −1.6 (7) |
| C23—Fe1—C18—C19 | −115.1 (5) | Zn1—N5—C31—C32 | 173.6 (4) |
| C16—Fe1—C18—C19 | 81.9 (3) | C35—N5—C31—C30 | 178.9 (5) |
| C17—Fe1—C18—C19 | 119.9 (5) | Zn1—N5—C31—C30 | −5.9 (5) |
| C25—Fe1—C18—C17 | −159.0 (9) | N4—C30—C31—N5 | 2.7 (7) |
| C20—Fe1—C18—C17 | −82.2 (3) | C29—C30—C31—N5 | −177.4 (4) |
| C24—Fe1—C18—C17 | 166.4 (4) | N4—C30—C31—C32 | −176.8 (4) |
| C22—Fe1—C18—C17 | 83.1 (6) | C29—C30—C31—C32 | 3.0 (7) |
| C21—Fe1—C18—C17 | 46.6 (10) | N5—C31—C32—C36 | 177.1 (5) |
| C23—Fe1—C18—C17 | 125.0 (5) | C30—C31—C32—C36 | −3.4 (7) |
| C16—Fe1—C18—C17 | −38.0 (3) | N5—C31—C32—C33 | 0.0 (8) |
| C19—Fe1—C18—C17 | −119.9 (5) | C30—C31—C32—C33 | 179.5 (5) |
| C17—C18—C19—C20 | 0.2 (6) | C36—C32—C33—C34 | −177.3 (6) |
| Fe1—C18—C19—C20 | −58.4 (4) | C31—C32—C33—C34 | −0.4 (8) |
| C17—C18—C19—Fe1 | 58.6 (4) | C32—C33—C34—C35 | 2.4 (9) |
| C25—Fe1—C19—C18 | 165.7 (5) | C31—N5—C35—C34 | 3.7 (8) |
| C20—Fe1—C19—C18 | −119.9 (5) | Zn1—N5—C35—C34 | −170.1 (4) |
| C24—Fe1—C19—C18 | 124.6 (5) | C33—C34—C35—N5 | −4.1 (10) |
| C22—Fe1—C19—C18 | 54.7 (9) | C31—C32—C36—C37 | 0.9 (9) |
| C21—Fe1—C19—C18 | −165.4 (9) | C33—C32—C36—C37 | 177.7 (6) |
| C23—Fe1—C19—C18 | 83.8 (5) | C32—C36—C37—C29 | 2.0 (9) |
| C16—Fe1—C19—C18 | −81.7 (3) | C28—C29—C37—C36 | 177.0 (6) |
| C17—Fe1—C19—C18 | −37.5 (3) | C30—C29—C37—C36 | −2.4 (9) |