| Literature DB >> 22090815 |
Si-Ping Tang1, Yong-Lan Feng, Dai-Zhi Kuang.
Abstract
The title complex, [FeZn(C(5)H(5))Cl(2)(C(20)H(14)N(3))]·CH(3)CN, is composed of one Zn(II) atom, one 4'-ferrocenyl-2,2':6',2''-terpyridine (fctpy) ligand, two Cl atoms and one acetonitrile solvent mol-ecule. The Zn(II) atom is five-coordinated in a trigonal-bipyramidal geometry by the tridentate chelating fctpy ligand and two Cl atoms.Entities:
Year: 2011 PMID: 22090815 PMCID: PMC3212113 DOI: 10.1107/S1600536811024950
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [FeZn(C5H5)Cl2(C20H14N3)]·C2H3N | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 1833 reflections |
| θ = 2.4–21.3° | |
| µ = 1.75 mm−1 | |
| β = 104.514 (4)° | Prism, red |
| 0.18 × 0.14 × 0.10 mm | |
| Bruker APEX area-detector diffractometer | 4938 independent reflections |
| Radiation source: fine-focus sealed tube | 3301 reflections with |
| graphite | |
| φ and ω scans | θmax = 26.0°, θmin = 2.1° |
| Absorption correction: multi-scan ( | |
| 12737 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 | |
| 4938 reflections | (Δ/σ)max < 0.001 |
| 317 parameters | Δρmax = 0.77 e Å−3 |
| 0 restraints | Δρmin = −0.40 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 |
| Fe2 | 0.15322 (5) | −0.18976 (5) | 0.06212 (4) | 0.0384 (2) | |
| Zn1 | 0.27254 (4) | 0.38084 (4) | 0.02199 (4) | 0.04109 (18) | |
| Cl3 | 0.15301 (10) | 0.44465 (10) | −0.10085 (9) | 0.0582 (4) | |
| Cl4 | 0.39084 (10) | 0.49174 (10) | 0.09763 (10) | 0.0595 (4) | |
| N1 | 0.1865 (3) | 0.3817 (3) | 0.1303 (3) | 0.0410 (9) | |
| N2 | 0.2663 (3) | 0.2268 (3) | 0.0618 (3) | 0.0353 (9) | |
| N3 | 0.3560 (3) | 0.2940 (3) | −0.0636 (3) | 0.0408 (9) | |
| N4 | 0.4086 (5) | 0.6416 (5) | 0.4004 (5) | 0.116 (2) | |
| C1 | 0.1444 (4) | 0.4648 (4) | 0.1587 (4) | 0.0522 (13) | |
| H1 | 0.1497 | 0.5276 | 0.1298 | 0.063* | |
| C2 | 0.0938 (4) | 0.4612 (4) | 0.2286 (4) | 0.0572 (14) | |
| H2 | 0.0648 | 0.5200 | 0.2466 | 0.069* | |
| C3 | 0.0872 (4) | 0.3681 (4) | 0.2710 (4) | 0.0558 (14) | |
| H3 | 0.0536 | 0.3637 | 0.3187 | 0.067* | |
| C4 | 0.1298 (4) | 0.2809 (4) | 0.2437 (3) | 0.0476 (12) | |
| H4 | 0.1262 | 0.2179 | 0.2728 | 0.057* | |
| C5 | 0.1783 (3) | 0.2902 (3) | 0.1714 (3) | 0.0356 (10) | |
| C6 | 0.2218 (3) | 0.2022 (3) | 0.1314 (3) | 0.0347 (10) | |
| C7 | 0.2165 (3) | 0.1017 (3) | 0.1600 (3) | 0.0366 (10) | |
| H7 | 0.1869 | 0.0863 | 0.2090 | 0.044* | |
| C8 | 0.2560 (3) | 0.0232 (3) | 0.1149 (3) | 0.0370 (10) | |
| C9 | 0.3017 (3) | 0.0500 (3) | 0.0432 (3) | 0.0421 (11) | |
| H9 | 0.3296 | −0.0004 | 0.0125 | 0.050* | |
| C10 | 0.3053 (3) | 0.1532 (3) | 0.0181 (3) | 0.0361 (10) | |
| C11 | 0.3525 (3) | 0.1907 (3) | −0.0571 (3) | 0.0375 (11) | |
| C12 | 0.3885 (4) | 0.1273 (4) | −0.1163 (3) | 0.0476 (12) | |
| H12 | 0.3840 | 0.0562 | −0.1116 | 0.057* | |
| C13 | 0.4318 (4) | 0.1714 (4) | −0.1834 (3) | 0.0499 (13) | |
| H13 | 0.4564 | 0.1299 | −0.2243 | 0.060* | |
| C14 | 0.4378 (4) | 0.2756 (4) | −0.1888 (3) | 0.0507 (13) | |
| H14 | 0.4676 | 0.3066 | −0.2323 | 0.061* | |
| C15 | 0.3984 (4) | 0.3343 (4) | −0.1278 (3) | 0.0495 (13) | |
| H15 | 0.4016 | 0.4056 | −0.1318 | 0.059* | |
| C16 | 0.2486 (3) | −0.0851 (3) | 0.1418 (3) | 0.0370 (11) | |
| C17 | 0.1829 (4) | −0.1262 (3) | 0.1942 (3) | 0.0435 (12) | |
| H17 | 0.1358 | −0.0868 | 0.2208 | 0.052* | |
| C18 | 0.1969 (4) | −0.2339 (4) | 0.1999 (3) | 0.0539 (14) | |
| H18 | 0.1604 | −0.2818 | 0.2310 | 0.065* | |
| C19 | 0.2716 (4) | −0.2618 (4) | 0.1534 (4) | 0.0510 (13) | |
| H19 | 0.2959 | −0.3315 | 0.1467 | 0.061* | |
| C20 | 0.3029 (4) | −0.1705 (3) | 0.1163 (3) | 0.0462 (12) | |
| H20 | 0.3532 | −0.1661 | 0.0795 | 0.055* | |
| C21 | 0.0683 (5) | −0.1180 (5) | −0.0538 (4) | 0.0713 (15) | |
| H21 | 0.0689 | −0.0439 | −0.0664 | 0.086* | |
| C22 | 0.0069 (5) | −0.1663 (5) | −0.0061 (4) | 0.0748 (15) | |
| H22 | −0.0439 | −0.1334 | 0.0203 | 0.090* | |
| C23 | 0.0298 (5) | −0.2713 (5) | −0.0031 (5) | 0.0820 (16) | |
| H23 | −0.0024 | −0.3259 | 0.0250 | 0.098* | |
| C24 | 0.1066 (5) | −0.2835 (5) | −0.0504 (4) | 0.0818 (17) | |
| H24 | 0.1378 | −0.3487 | −0.0610 | 0.098* | |
| C25 | 0.1287 (5) | −0.1888 (5) | −0.0803 (4) | 0.0752 (15) | |
| H25 | 0.1790 | −0.1744 | −0.1156 | 0.090* | |
| C26 | 0.4023 (5) | 0.7265 (5) | 0.4002 (4) | 0.0667 (16) | |
| C27 | 0.3915 (5) | 0.8365 (5) | 0.3999 (5) | 0.089 (2) | |
| H27A | 0.3598 | 0.8594 | 0.3370 | 0.133* | |
| H27B | 0.4563 | 0.8678 | 0.4206 | 0.133* | |
| H27C | 0.3511 | 0.8556 | 0.4421 | 0.133* |
| Fe2 | 0.0469 (4) | 0.0330 (4) | 0.0339 (4) | −0.0007 (3) | 0.0076 (3) | −0.0003 (3) |
| Zn1 | 0.0501 (4) | 0.0310 (3) | 0.0439 (3) | −0.0017 (2) | 0.0149 (3) | 0.0001 (2) |
| Cl3 | 0.0724 (9) | 0.0544 (8) | 0.0457 (8) | 0.0163 (7) | 0.0108 (6) | 0.0017 (6) |
| Cl4 | 0.0604 (9) | 0.0472 (7) | 0.0716 (9) | −0.0133 (6) | 0.0179 (7) | −0.0126 (7) |
| N1 | 0.050 (2) | 0.029 (2) | 0.047 (2) | −0.0023 (17) | 0.0170 (19) | −0.0052 (18) |
| N2 | 0.035 (2) | 0.0300 (19) | 0.042 (2) | 0.0019 (16) | 0.0121 (17) | −0.0020 (17) |
| N3 | 0.046 (2) | 0.041 (2) | 0.039 (2) | −0.0018 (18) | 0.0165 (18) | 0.0009 (18) |
| N4 | 0.154 (7) | 0.072 (4) | 0.113 (6) | 0.000 (4) | 0.018 (5) | 0.012 (4) |
| C1 | 0.069 (4) | 0.033 (3) | 0.056 (3) | 0.004 (2) | 0.018 (3) | −0.004 (2) |
| C2 | 0.067 (4) | 0.050 (3) | 0.059 (4) | 0.012 (3) | 0.025 (3) | −0.010 (3) |
| C3 | 0.064 (4) | 0.061 (3) | 0.051 (3) | 0.010 (3) | 0.031 (3) | −0.003 (3) |
| C4 | 0.062 (3) | 0.042 (3) | 0.043 (3) | 0.001 (2) | 0.020 (3) | 0.002 (2) |
| C5 | 0.037 (3) | 0.035 (2) | 0.034 (3) | −0.0047 (19) | 0.008 (2) | −0.003 (2) |
| C6 | 0.034 (3) | 0.032 (2) | 0.038 (3) | −0.0028 (19) | 0.010 (2) | 0.000 (2) |
| C7 | 0.038 (3) | 0.037 (3) | 0.034 (2) | −0.001 (2) | 0.008 (2) | −0.002 (2) |
| C8 | 0.036 (3) | 0.036 (2) | 0.037 (3) | −0.006 (2) | 0.005 (2) | −0.001 (2) |
| C9 | 0.051 (3) | 0.034 (2) | 0.042 (3) | 0.004 (2) | 0.015 (2) | −0.003 (2) |
| C10 | 0.034 (3) | 0.036 (2) | 0.039 (3) | 0.000 (2) | 0.010 (2) | −0.001 (2) |
| C11 | 0.040 (3) | 0.035 (3) | 0.038 (3) | 0.001 (2) | 0.011 (2) | −0.002 (2) |
| C12 | 0.055 (3) | 0.046 (3) | 0.046 (3) | −0.001 (2) | 0.019 (2) | −0.007 (2) |
| C13 | 0.050 (3) | 0.057 (3) | 0.048 (3) | 0.007 (2) | 0.021 (2) | −0.006 (3) |
| C14 | 0.053 (3) | 0.067 (4) | 0.038 (3) | −0.005 (3) | 0.022 (2) | 0.004 (3) |
| C15 | 0.051 (3) | 0.048 (3) | 0.051 (3) | −0.002 (2) | 0.015 (3) | 0.003 (3) |
| C16 | 0.046 (3) | 0.027 (2) | 0.035 (3) | −0.0047 (19) | 0.006 (2) | −0.0026 (19) |
| C17 | 0.057 (3) | 0.040 (3) | 0.033 (3) | −0.008 (2) | 0.011 (2) | −0.002 (2) |
| C18 | 0.079 (4) | 0.038 (3) | 0.041 (3) | −0.011 (3) | 0.009 (3) | 0.007 (2) |
| C19 | 0.058 (3) | 0.030 (3) | 0.058 (3) | 0.005 (2) | 0.001 (3) | 0.001 (2) |
| C20 | 0.047 (3) | 0.035 (3) | 0.055 (3) | −0.001 (2) | 0.010 (2) | 0.002 (2) |
| C21 | 0.082 (3) | 0.071 (3) | 0.048 (3) | 0.004 (3) | −0.008 (2) | 0.006 (3) |
| C22 | 0.061 (3) | 0.097 (3) | 0.057 (3) | 0.008 (3) | −0.004 (2) | −0.008 (3) |
| C23 | 0.076 (3) | 0.086 (3) | 0.065 (3) | −0.030 (3) | −0.018 (3) | 0.007 (3) |
| C24 | 0.088 (3) | 0.073 (3) | 0.061 (3) | 0.017 (3) | −0.025 (3) | −0.033 (3) |
| C25 | 0.079 (3) | 0.094 (3) | 0.045 (3) | 0.003 (3) | 0.001 (2) | −0.012 (3) |
| C26 | 0.077 (4) | 0.073 (4) | 0.049 (4) | −0.007 (3) | 0.014 (3) | 0.005 (3) |
| C27 | 0.100 (5) | 0.073 (5) | 0.083 (5) | −0.015 (4) | 0.003 (4) | −0.007 (4) |
| Fe2—C24 | 2.017 (5) | C8—C16 | 1.471 (6) |
| Fe2—C25 | 2.020 (6) | C9—C10 | 1.394 (6) |
| Fe2—C21 | 2.028 (5) | C9—H9 | 0.9300 |
| Fe2—C23 | 2.029 (5) | C10—C11 | 1.491 (6) |
| Fe2—C18 | 2.031 (5) | C11—C12 | 1.374 (6) |
| Fe2—C20 | 2.034 (5) | C12—C13 | 1.393 (6) |
| Fe2—C22 | 2.038 (6) | C12—H12 | 0.9300 |
| Fe2—C16 | 2.041 (4) | C13—C14 | 1.361 (7) |
| Fe2—C17 | 2.042 (5) | C13—H13 | 0.9300 |
| Fe2—C19 | 2.056 (5) | C14—C15 | 1.384 (7) |
| Zn1—N2 | 2.093 (3) | C14—H14 | 0.9300 |
| Zn1—N1 | 2.202 (4) | C15—H15 | 0.9300 |
| Zn1—N3 | 2.210 (4) | C16—C17 | 1.429 (6) |
| Zn1—Cl4 | 2.2490 (13) | C16—C20 | 1.439 (6) |
| Zn1—Cl3 | 2.2672 (14) | C17—C18 | 1.412 (6) |
| N1—C1 | 1.340 (6) | C17—H17 | 0.9800 |
| N1—C5 | 1.350 (5) | C18—C19 | 1.416 (7) |
| N2—C10 | 1.335 (5) | C18—H18 | 0.9800 |
| N2—C6 | 1.350 (5) | C19—C20 | 1.416 (6) |
| N3—C15 | 1.329 (6) | C19—H19 | 0.9800 |
| N3—C11 | 1.348 (5) | C20—H20 | 0.9800 |
| N4—C26 | 1.107 (8) | C21—C25 | 1.361 (8) |
| C1—C2 | 1.374 (7) | C21—C22 | 1.376 (8) |
| C1—H1 | 0.9300 | C21—H21 | 0.9800 |
| C2—C3 | 1.372 (7) | C22—C23 | 1.399 (8) |
| C2—H2 | 0.9300 | C22—H22 | 0.9800 |
| C3—C4 | 1.381 (6) | C23—C24 | 1.412 (9) |
| C3—H3 | 0.9300 | C23—H23 | 0.9800 |
| C4—C5 | 1.389 (6) | C24—C25 | 1.366 (8) |
| C4—H4 | 0.9300 | C24—H24 | 0.9800 |
| C5—C6 | 1.479 (6) | C25—H25 | 0.9800 |
| C6—C7 | 1.379 (6) | C26—C27 | 1.437 (8) |
| C7—C8 | 1.397 (6) | C27—H27A | 0.9600 |
| C7—H7 | 0.9300 | C27—H27B | 0.9600 |
| C8—C9 | 1.396 (6) | C27—H27C | 0.9600 |
| C24—Fe2—C25 | 39.5 (2) | C10—C9—C8 | 119.3 (4) |
| C24—Fe2—C21 | 66.3 (2) | C10—C9—H9 | 120.3 |
| C25—Fe2—C21 | 39.3 (2) | C8—C9—H9 | 120.3 |
| C24—Fe2—C23 | 40.9 (3) | N2—C10—C9 | 121.3 (4) |
| C25—Fe2—C23 | 67.5 (3) | N2—C10—C11 | 114.8 (4) |
| C21—Fe2—C23 | 66.9 (3) | C9—C10—C11 | 123.9 (4) |
| C24—Fe2—C18 | 126.2 (2) | N3—C11—C12 | 121.9 (4) |
| C25—Fe2—C18 | 162.1 (2) | N3—C11—C10 | 114.1 (4) |
| C21—Fe2—C18 | 157.2 (3) | C12—C11—C10 | 124.0 (4) |
| C23—Fe2—C18 | 108.8 (2) | C11—C12—C13 | 118.8 (5) |
| C24—Fe2—C20 | 118.5 (2) | C11—C12—H12 | 120.6 |
| C25—Fe2—C20 | 106.9 (2) | C13—C12—H12 | 120.6 |
| C21—Fe2—C20 | 125.9 (2) | C14—C13—C12 | 119.6 (5) |
| C23—Fe2—C20 | 153.9 (2) | C14—C13—H13 | 120.2 |
| C18—Fe2—C20 | 68.3 (2) | C12—C13—H13 | 120.2 |
| C24—Fe2—C22 | 67.5 (3) | C13—C14—C15 | 118.1 (5) |
| C25—Fe2—C22 | 66.8 (3) | C13—C14—H14 | 120.9 |
| C21—Fe2—C22 | 39.6 (2) | C15—C14—H14 | 120.9 |
| C23—Fe2—C22 | 40.2 (2) | N3—C15—C14 | 123.3 (5) |
| C18—Fe2—C22 | 122.5 (3) | N3—C15—H15 | 118.3 |
| C20—Fe2—C22 | 163.1 (2) | C14—C15—H15 | 118.3 |
| C24—Fe2—C16 | 153.5 (3) | C17—C16—C20 | 106.9 (4) |
| C25—Fe2—C16 | 120.0 (2) | C17—C16—C8 | 126.6 (4) |
| C21—Fe2—C16 | 108.9 (2) | C20—C16—C8 | 126.4 (4) |
| C23—Fe2—C16 | 163.9 (3) | C17—C16—Fe2 | 69.6 (2) |
| C18—Fe2—C16 | 68.64 (18) | C20—C16—Fe2 | 69.0 (2) |
| C20—Fe2—C16 | 41.35 (17) | C8—C16—Fe2 | 124.3 (3) |
| C22—Fe2—C16 | 126.7 (2) | C18—C17—C16 | 107.8 (4) |
| C24—Fe2—C17 | 163.9 (3) | C18—C17—Fe2 | 69.3 (3) |
| C25—Fe2—C17 | 155.6 (2) | C16—C17—Fe2 | 69.5 (3) |
| C21—Fe2—C17 | 122.6 (2) | C18—C17—H17 | 126.1 |
| C23—Fe2—C17 | 126.9 (3) | C16—C17—H17 | 126.1 |
| C18—Fe2—C17 | 40.57 (18) | Fe2—C17—H17 | 126.1 |
| C20—Fe2—C17 | 68.8 (2) | C17—C18—C19 | 109.3 (4) |
| C22—Fe2—C17 | 109.9 (2) | C17—C18—Fe2 | 70.1 (3) |
| C16—Fe2—C17 | 40.96 (17) | C19—C18—Fe2 | 70.7 (3) |
| C24—Fe2—C19 | 107.0 (2) | C17—C18—H18 | 125.3 |
| C25—Fe2—C19 | 124.8 (2) | C19—C18—H18 | 125.3 |
| C21—Fe2—C19 | 161.6 (3) | Fe2—C18—H18 | 125.3 |
| C23—Fe2—C19 | 120.2 (2) | C18—C19—C20 | 107.3 (4) |
| C18—Fe2—C19 | 40.5 (2) | C18—C19—Fe2 | 68.8 (3) |
| C20—Fe2—C19 | 40.51 (18) | C20—C19—Fe2 | 68.9 (3) |
| C22—Fe2—C19 | 156.0 (2) | C18—C19—H19 | 126.4 |
| C16—Fe2—C19 | 68.93 (18) | C20—C19—H19 | 126.4 |
| C17—Fe2—C19 | 68.5 (2) | Fe2—C19—H19 | 126.4 |
| N2—Zn1—N1 | 74.85 (13) | C19—C20—C16 | 108.6 (4) |
| N2—Zn1—N3 | 74.46 (14) | C19—C20—Fe2 | 70.6 (3) |
| N1—Zn1—N3 | 149.31 (13) | C16—C20—Fe2 | 69.6 (3) |
| N2—Zn1—Cl4 | 123.51 (10) | C19—C20—H20 | 125.7 |
| N1—Zn1—Cl4 | 95.74 (10) | C16—C20—H20 | 125.7 |
| N3—Zn1—Cl4 | 100.82 (10) | Fe2—C20—H20 | 125.7 |
| N2—Zn1—Cl3 | 119.82 (10) | C25—C21—C22 | 109.4 (6) |
| N1—Zn1—Cl3 | 98.58 (11) | C25—C21—Fe2 | 70.0 (4) |
| N3—Zn1—Cl3 | 96.82 (10) | C22—C21—Fe2 | 70.6 (3) |
| Cl4—Zn1—Cl3 | 116.64 (5) | C25—C21—H21 | 125.3 |
| C1—N1—C5 | 118.8 (4) | C22—C21—H21 | 125.3 |
| C1—N1—Zn1 | 125.4 (3) | Fe2—C21—H21 | 125.3 |
| C5—N1—Zn1 | 115.7 (3) | C21—C22—C23 | 107.4 (6) |
| C10—N2—C6 | 120.2 (4) | C21—C22—Fe2 | 69.8 (3) |
| C10—N2—Zn1 | 120.2 (3) | C23—C22—Fe2 | 69.6 (3) |
| C6—N2—Zn1 | 119.6 (3) | C21—C22—H22 | 126.3 |
| C15—N3—C11 | 118.2 (4) | C23—C22—H22 | 126.3 |
| C15—N3—Zn1 | 125.5 (3) | Fe2—C22—H22 | 126.3 |
| C11—N3—Zn1 | 115.8 (3) | C22—C23—C24 | 106.5 (6) |
| N1—C1—C2 | 122.8 (5) | C22—C23—Fe2 | 70.2 (3) |
| N1—C1—H1 | 118.6 | C24—C23—Fe2 | 69.1 (3) |
| C2—C1—H1 | 118.6 | C22—C23—H23 | 126.7 |
| C3—C2—C1 | 117.9 (5) | C24—C23—H23 | 126.7 |
| C3—C2—H2 | 121.0 | Fe2—C23—H23 | 126.7 |
| C1—C2—H2 | 121.0 | C25—C24—C23 | 108.1 (6) |
| C2—C3—C4 | 120.8 (5) | C25—C24—Fe2 | 70.4 (3) |
| C2—C3—H3 | 119.6 | C23—C24—Fe2 | 70.1 (3) |
| C4—C3—H3 | 119.6 | C25—C24—H24 | 126.0 |
| C3—C4—C5 | 118.0 (5) | C23—C24—H24 | 126.0 |
| C3—C4—H4 | 121.0 | Fe2—C24—H24 | 126.0 |
| C5—C4—H4 | 121.0 | C21—C25—C24 | 108.5 (6) |
| N1—C5—C4 | 121.6 (4) | C21—C25—Fe2 | 70.7 (4) |
| N1—C5—C6 | 114.8 (4) | C24—C25—Fe2 | 70.1 (4) |
| C4—C5—C6 | 123.6 (4) | C21—C25—H25 | 125.7 |
| N2—C6—C7 | 121.4 (4) | C24—C25—H25 | 125.7 |
| N2—C6—C5 | 114.8 (4) | Fe2—C25—H25 | 125.7 |
| C7—C6—C5 | 123.8 (4) | N4—C26—C27 | 178.5 (8) |
| C6—C7—C8 | 119.5 (4) | C26—C27—H27A | 109.5 |
| C6—C7—H7 | 120.2 | C26—C27—H27B | 109.5 |
| C8—C7—H7 | 120.2 | H27A—C27—H27B | 109.5 |
| C9—C8—C7 | 118.2 (4) | C26—C27—H27C | 109.5 |
| C9—C8—C16 | 120.9 (4) | H27A—C27—H27C | 109.5 |
| C7—C8—C16 | 120.8 (4) | H27B—C27—H27C | 109.5 |
| N2—Zn1—N1—C1 | −177.1 (4) | C17—Fe2—C18—C19 | −120.0 (4) |
| N3—Zn1—N1—C1 | −177.7 (3) | C17—C18—C19—C20 | −1.4 (6) |
| Cl4—Zn1—N1—C1 | 59.7 (4) | Fe2—C18—C19—C20 | 58.3 (3) |
| Cl3—Zn1—N1—C1 | −58.4 (4) | C17—C18—C19—Fe2 | −59.7 (3) |
| N2—Zn1—N1—C5 | 4.2 (3) | C24—Fe2—C19—C18 | −126.3 (4) |
| N3—Zn1—N1—C5 | 3.6 (5) | C25—Fe2—C19—C18 | −166.0 (3) |
| Cl4—Zn1—N1—C5 | −119.0 (3) | C21—Fe2—C19—C18 | 167.9 (6) |
| Cl3—Zn1—N1—C5 | 122.9 (3) | C23—Fe2—C19—C18 | −83.8 (4) |
| N1—Zn1—N2—C10 | 176.3 (3) | C20—Fe2—C19—C18 | 119.4 (4) |
| N3—Zn1—N2—C10 | −4.1 (3) | C22—Fe2—C19—C18 | −53.6 (7) |
| Cl4—Zn1—N2—C10 | −96.9 (3) | C16—Fe2—C19—C18 | 81.4 (3) |
| Cl3—Zn1—N2—C10 | 85.0 (3) | C17—Fe2—C19—C18 | 37.3 (3) |
| N1—Zn1—N2—C6 | −3.1 (3) | C24—Fe2—C19—C20 | 114.2 (4) |
| N3—Zn1—N2—C6 | 176.6 (3) | C25—Fe2—C19—C20 | 74.5 (4) |
| Cl4—Zn1—N2—C6 | 83.8 (3) | C21—Fe2—C19—C20 | 48.5 (8) |
| Cl3—Zn1—N2—C6 | −94.4 (3) | C23—Fe2—C19—C20 | 156.7 (4) |
| N2—Zn1—N3—C15 | 178.7 (4) | C18—Fe2—C19—C20 | −119.4 (4) |
| N1—Zn1—N3—C15 | 179.3 (3) | C22—Fe2—C19—C20 | −173.1 (5) |
| Cl4—Zn1—N3—C15 | −59.3 (4) | C16—Fe2—C19—C20 | −38.1 (3) |
| Cl3—Zn1—N3—C15 | 59.6 (4) | C17—Fe2—C19—C20 | −82.2 (3) |
| N2—Zn1—N3—C11 | 7.0 (3) | C18—C19—C20—C16 | 1.2 (6) |
| N1—Zn1—N3—C11 | 7.6 (5) | Fe2—C19—C20—C16 | 59.4 (3) |
| Cl4—Zn1—N3—C11 | 129.0 (3) | C18—C19—C20—Fe2 | −58.3 (3) |
| Cl3—Zn1—N3—C11 | −112.1 (3) | C17—C16—C20—C19 | −0.6 (5) |
| C5—N1—C1—C2 | 0.5 (7) | C8—C16—C20—C19 | −177.9 (4) |
| Zn1—N1—C1—C2 | −178.2 (4) | Fe2—C16—C20—C19 | −60.1 (3) |
| N1—C1—C2—C3 | 0.5 (8) | C17—C16—C20—Fe2 | 59.5 (3) |
| C1—C2—C3—C4 | −0.3 (8) | C8—C16—C20—Fe2 | −117.9 (4) |
| C2—C3—C4—C5 | −0.8 (8) | C24—Fe2—C20—C19 | −82.9 (4) |
| C1—N1—C5—C4 | −1.7 (7) | C25—Fe2—C20—C19 | −124.2 (3) |
| Zn1—N1—C5—C4 | 177.1 (3) | C21—Fe2—C20—C19 | −163.1 (3) |
| C1—N1—C5—C6 | 176.5 (4) | C23—Fe2—C20—C19 | −51.0 (7) |
| Zn1—N1—C5—C6 | −4.7 (5) | C18—Fe2—C20—C19 | 37.5 (3) |
| C3—C4—C5—N1 | 1.8 (7) | C22—Fe2—C20—C19 | 170.3 (7) |
| C3—C4—C5—C6 | −176.2 (4) | C16—Fe2—C20—C19 | 119.5 (4) |
| C10—N2—C6—C7 | 1.0 (6) | C17—Fe2—C20—C19 | 81.3 (3) |
| Zn1—N2—C6—C7 | −179.7 (3) | C24—Fe2—C20—C16 | 157.6 (3) |
| C10—N2—C6—C5 | −177.7 (4) | C25—Fe2—C20—C16 | 116.4 (3) |
| Zn1—N2—C6—C5 | 1.6 (5) | C21—Fe2—C20—C16 | 77.5 (4) |
| N1—C5—C6—N2 | 2.2 (6) | C23—Fe2—C20—C16 | −170.4 (5) |
| C4—C5—C6—N2 | −179.7 (4) | C18—Fe2—C20—C16 | −81.9 (3) |
| N1—C5—C6—C7 | −176.5 (4) | C22—Fe2—C20—C16 | 50.8 (9) |
| C4—C5—C6—C7 | 1.7 (7) | C17—Fe2—C20—C16 | −38.2 (3) |
| N2—C6—C7—C8 | −1.5 (7) | C19—Fe2—C20—C16 | −119.5 (4) |
| C5—C6—C7—C8 | 177.1 (4) | C24—Fe2—C21—C25 | −37.4 (4) |
| C6—C7—C8—C9 | 1.4 (6) | C23—Fe2—C21—C25 | −82.1 (4) |
| C6—C7—C8—C16 | −178.0 (4) | C18—Fe2—C21—C25 | −165.8 (5) |
| C7—C8—C9—C10 | −0.9 (6) | C20—Fe2—C21—C25 | 71.6 (5) |
| C16—C8—C9—C10 | 178.5 (4) | C22—Fe2—C21—C25 | −120.2 (6) |
| C6—N2—C10—C9 | −0.5 (6) | C16—Fe2—C21—C25 | 114.6 (4) |
| Zn1—N2—C10—C9 | −179.8 (3) | C17—Fe2—C21—C25 | 157.8 (4) |
| C6—N2—C10—C11 | −179.8 (4) | C19—Fe2—C21—C25 | 34.7 (9) |
| Zn1—N2—C10—C11 | 0.8 (5) | C24—Fe2—C21—C22 | 82.8 (4) |
| C8—C9—C10—N2 | 0.5 (7) | C25—Fe2—C21—C22 | 120.2 (6) |
| C8—C9—C10—C11 | 179.8 (4) | C23—Fe2—C21—C22 | 38.1 (4) |
| C15—N3—C11—C12 | −1.9 (7) | C18—Fe2—C21—C22 | −45.6 (7) |
| Zn1—N3—C11—C12 | 170.4 (3) | C20—Fe2—C21—C22 | −168.2 (3) |
| C15—N3—C11—C10 | 178.9 (4) | C16—Fe2—C21—C22 | −125.2 (4) |
| Zn1—N3—C11—C10 | −8.7 (5) | C17—Fe2—C21—C22 | −82.0 (4) |
| N2—C10—C11—N3 | 5.4 (6) | C19—Fe2—C21—C22 | 154.9 (6) |
| C9—C10—C11—N3 | −173.9 (4) | C25—C21—C22—C23 | −0.2 (7) |
| N2—C10—C11—C12 | −173.7 (4) | Fe2—C21—C22—C23 | −59.6 (4) |
| C9—C10—C11—C12 | 7.0 (7) | C25—C21—C22—Fe2 | 59.5 (4) |
| N3—C11—C12—C13 | 1.5 (7) | C24—Fe2—C22—C21 | −79.6 (4) |
| C10—C11—C12—C13 | −179.5 (4) | C25—Fe2—C22—C21 | −36.5 (4) |
| C11—C12—C13—C14 | 0.2 (7) | C23—Fe2—C22—C21 | −118.5 (6) |
| C12—C13—C14—C15 | −1.3 (7) | C18—Fe2—C22—C21 | 160.8 (3) |
| C11—N3—C15—C14 | 0.8 (7) | C20—Fe2—C22—C21 | 34.8 (10) |
| Zn1—N3—C15—C14 | −170.7 (4) | C16—Fe2—C22—C21 | 74.5 (4) |
| C13—C14—C15—N3 | 0.8 (8) | C17—Fe2—C22—C21 | 117.5 (4) |
| C9—C8—C16—C17 | −162.3 (4) | C19—Fe2—C22—C21 | −160.8 (5) |
| C7—C8—C16—C17 | 17.1 (7) | C24—Fe2—C22—C23 | 38.9 (4) |
| C9—C8—C16—C20 | 14.5 (7) | C25—Fe2—C22—C23 | 82.0 (4) |
| C7—C8—C16—C20 | −166.1 (4) | C21—Fe2—C22—C23 | 118.5 (6) |
| C9—C8—C16—Fe2 | −73.5 (5) | C18—Fe2—C22—C23 | −80.7 (5) |
| C7—C8—C16—Fe2 | 105.9 (5) | C20—Fe2—C22—C23 | 153.3 (7) |
| C24—Fe2—C16—C17 | −167.0 (5) | C16—Fe2—C22—C23 | −167.0 (4) |
| C25—Fe2—C16—C17 | 160.0 (3) | C17—Fe2—C22—C23 | −124.0 (4) |
| C21—Fe2—C16—C17 | 118.3 (3) | C19—Fe2—C22—C23 | −42.3 (8) |
| C23—Fe2—C16—C17 | 46.4 (9) | C21—C22—C23—C24 | 0.0 (6) |
| C18—Fe2—C16—C17 | −37.5 (3) | Fe2—C22—C23—C24 | −59.8 (4) |
| C20—Fe2—C16—C17 | −118.4 (4) | C21—C22—C23—Fe2 | 59.8 (4) |
| C22—Fe2—C16—C17 | 77.9 (4) | C24—Fe2—C23—C22 | −117.5 (6) |
| C19—Fe2—C16—C17 | −81.1 (3) | C25—Fe2—C23—C22 | −80.2 (4) |
| C24—Fe2—C16—C20 | −48.6 (6) | C21—Fe2—C23—C22 | −37.5 (4) |
| C25—Fe2—C16—C20 | −81.6 (3) | C18—Fe2—C23—C22 | 118.5 (4) |
| C21—Fe2—C16—C20 | −123.3 (3) | C20—Fe2—C23—C22 | −162.8 (5) |
| C23—Fe2—C16—C20 | 164.8 (7) | C16—Fe2—C23—C22 | 40.5 (10) |
| C18—Fe2—C16—C20 | 80.9 (3) | C17—Fe2—C23—C22 | 76.9 (5) |
| C22—Fe2—C16—C20 | −163.7 (3) | C19—Fe2—C23—C22 | 161.5 (4) |
| C17—Fe2—C16—C20 | 118.4 (4) | C25—Fe2—C23—C24 | 37.2 (4) |
| C19—Fe2—C16—C20 | 37.3 (3) | C21—Fe2—C23—C24 | 80.0 (4) |
| C24—Fe2—C16—C8 | 71.9 (6) | C18—Fe2—C23—C24 | −124.1 (4) |
| C25—Fe2—C16—C8 | 38.9 (5) | C20—Fe2—C23—C24 | −45.3 (7) |
| C21—Fe2—C16—C8 | −2.7 (5) | C22—Fe2—C23—C24 | 117.5 (6) |
| C23—Fe2—C16—C8 | −74.7 (9) | C16—Fe2—C23—C24 | 158.0 (7) |
| C18—Fe2—C16—C8 | −158.5 (4) | C17—Fe2—C23—C24 | −165.7 (4) |
| C20—Fe2—C16—C8 | 120.6 (5) | C19—Fe2—C23—C24 | −81.0 (4) |
| C22—Fe2—C16—C8 | −43.2 (5) | C22—C23—C24—C25 | 0.2 (7) |
| C17—Fe2—C16—C8 | −121.1 (5) | Fe2—C23—C24—C25 | −60.4 (4) |
| C19—Fe2—C16—C8 | 157.9 (4) | C22—C23—C24—Fe2 | 60.6 (4) |
| C20—C16—C17—C18 | −0.3 (5) | C21—Fe2—C24—C25 | 37.2 (4) |
| C8—C16—C17—C18 | 177.1 (4) | C23—Fe2—C24—C25 | 118.7 (6) |
| Fe2—C16—C17—C18 | 58.9 (3) | C18—Fe2—C24—C25 | −165.0 (4) |
| C20—C16—C17—Fe2 | −59.2 (3) | C20—Fe2—C24—C25 | −82.1 (4) |
| C8—C16—C17—Fe2 | 118.2 (4) | C22—Fe2—C24—C25 | 80.3 (4) |
| C24—Fe2—C17—C18 | 39.4 (9) | C16—Fe2—C24—C25 | −47.8 (7) |
| C25—Fe2—C17—C18 | −165.3 (5) | C17—Fe2—C24—C25 | 164.3 (7) |
| C21—Fe2—C17—C18 | 159.3 (3) | C19—Fe2—C24—C25 | −124.5 (4) |
| C23—Fe2—C17—C18 | 75.1 (4) | C25—Fe2—C24—C23 | −118.7 (6) |
| C20—Fe2—C17—C18 | −80.9 (3) | C21—Fe2—C24—C23 | −81.5 (4) |
| C22—Fe2—C17—C18 | 117.1 (3) | C18—Fe2—C24—C23 | 76.4 (5) |
| C16—Fe2—C17—C18 | −119.4 (4) | C20—Fe2—C24—C23 | 159.2 (4) |
| C19—Fe2—C17—C18 | −37.2 (3) | C22—Fe2—C24—C23 | −38.3 (4) |
| C24—Fe2—C17—C16 | 158.8 (8) | C16—Fe2—C24—C23 | −166.5 (4) |
| C25—Fe2—C17—C16 | −45.9 (7) | C17—Fe2—C24—C23 | 45.6 (10) |
| C21—Fe2—C17—C16 | −81.3 (4) | C19—Fe2—C24—C23 | 116.8 (4) |
| C23—Fe2—C17—C16 | −165.4 (3) | C22—C21—C25—C24 | 0.3 (7) |
| C18—Fe2—C17—C16 | 119.4 (4) | Fe2—C21—C25—C24 | 60.1 (4) |
| C20—Fe2—C17—C16 | 38.6 (3) | C22—C21—C25—Fe2 | −59.8 (4) |
| C22—Fe2—C17—C16 | −123.4 (3) | C23—C24—C25—C21 | −0.3 (7) |
| C19—Fe2—C17—C16 | 82.2 (3) | Fe2—C24—C25—C21 | −60.5 (4) |
| C16—C17—C18—C19 | 1.1 (5) | C23—C24—C25—Fe2 | 60.2 (4) |
| Fe2—C17—C18—C19 | 60.0 (3) | C24—Fe2—C25—C21 | 119.0 (6) |
| C16—C17—C18—Fe2 | −59.0 (3) | C23—Fe2—C25—C21 | 80.6 (4) |
| C24—Fe2—C18—C17 | −167.4 (3) | C18—Fe2—C25—C21 | 162.0 (7) |
| C25—Fe2—C18—C17 | 160.1 (7) | C20—Fe2—C25—C21 | −126.5 (4) |
| C21—Fe2—C18—C17 | −50.3 (7) | C22—Fe2—C25—C21 | 36.8 (4) |
| C23—Fe2—C18—C17 | −125.2 (3) | C16—Fe2—C25—C21 | −83.4 (4) |
| C20—Fe2—C18—C17 | 82.4 (3) | C17—Fe2—C25—C21 | −50.5 (7) |
| C22—Fe2—C18—C17 | −82.9 (4) | C19—Fe2—C25—C21 | −167.4 (4) |
| C16—Fe2—C18—C17 | 37.8 (3) | C21—Fe2—C25—C24 | −119.0 (6) |
| C19—Fe2—C18—C17 | 120.0 (4) | C23—Fe2—C25—C24 | −38.4 (4) |
| C24—Fe2—C18—C19 | 72.6 (4) | C18—Fe2—C25—C24 | 43.0 (10) |
| C25—Fe2—C18—C19 | 40.1 (9) | C20—Fe2—C25—C24 | 114.5 (4) |
| C21—Fe2—C18—C19 | −170.2 (5) | C22—Fe2—C25—C24 | −82.2 (4) |
| C23—Fe2—C18—C19 | 114.8 (3) | C16—Fe2—C25—C24 | 157.6 (4) |
| C20—Fe2—C18—C19 | −37.5 (3) | C17—Fe2—C25—C24 | −169.5 (5) |
| C22—Fe2—C18—C19 | 157.1 (3) | C19—Fe2—C25—C24 | 73.6 (5) |
| C16—Fe2—C18—C19 | −82.1 (3) |