| Literature DB >> 22807743 |
Mehmet Akkurt1, Ali Akbar Khandar, Muhammad Nawaz Tahir, Seyed Abolfazl Hosseini-Yazdi, Ghodrat Mahmoudi.
Abstract
In the title coordination polymer, [Hg₄Cl₄(C₂₆H₂₀N₆)](n), one Hg(II) ion is coordinated by four N atoms from the benzylbis((pyridin-2-yl)methyl-idenehydrazone) ligand and two Cl⁻ ions in a very distorted cis-HgCl₂N₄ octa-hedral geometry. The other Hg(II) ion is coordinated in a distorted tetra-hedral geometry by four Cl⁻ ions. Bridging chloride ions link the Hg(II) ions into a chain propagating in [010]: the Hg-Cl bridging bonds are significantly longer than the terminal bonds. The dihedral angle between the central benzene rings of the ligand is 83.3 (2)°. The packing is consolidated by weak C-H⋯Cl hydrogen bonds and C-H⋯π inter-actions.Entities:
Year: 2012 PMID: 22807743 PMCID: PMC3393175 DOI: 10.1107/S1600536812025718
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [HgCl4(C26H20N6)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 700 reflections |
| θ = 3.5–20.5° | |
| µ = 11.06 mm−1 | |
| β = 96.702 (1)° | Prism, green |
| 0.36 × 0.18 × 0.16 mm | |
| Bruker Kappa APEXII CCD diffractometer | 7066 independent reflections |
| Radiation source: fine-focus sealed tube | 5295 reflections with |
| Graphite monochromator | |
| ω scans | θmax = 28.3°, θmin = 2.3° |
| Absorption correction: multi-scan ( | |
| 26994 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 | |
| 7066 reflections | (Δ/σ)max = 0.002 |
| 343 parameters | Δρmax = 0.85 e Å−3 |
| 0 restraints | Δρmin = −0.85 e Å−3 |
| Geometry. Bond distances, angles |
| Refinement. Refinement on |
| Hg1 | 0.62651 (2) | 0.77072 (1) | 0.34093 (1) | 0.0365 (1) | |
| Hg2 | 0.40107 (2) | 1.03230 (1) | 0.29193 (1) | 0.0478 (1) | |
| Cl1 | 0.68420 (11) | 0.94448 (7) | 0.31308 (5) | 0.0508 (4) | |
| Cl2 | 0.47008 (11) | 0.68234 (8) | 0.25964 (5) | 0.0501 (3) | |
| Cl3 | 0.37878 (15) | 1.09629 (9) | 0.38169 (5) | 0.0692 (5) | |
| Cl4 | 0.29001 (14) | 0.94051 (8) | 0.21557 (5) | 0.0598 (4) | |
| N1 | 0.7872 (3) | 0.8179 (2) | 0.47703 (13) | 0.0386 (11) | |
| N2 | 0.6483 (4) | 0.8111 (2) | 0.44313 (12) | 0.0361 (10) | |
| N3 | 0.3796 (3) | 0.8157 (2) | 0.37525 (13) | 0.0376 (11) | |
| N4 | 0.7524 (3) | 0.5949 (2) | 0.44393 (12) | 0.0382 (11) | |
| N5 | 0.7914 (4) | 0.6422 (2) | 0.39605 (12) | 0.0370 (10) | |
| N6 | 0.8447 (3) | 0.7191 (2) | 0.29480 (13) | 0.0395 (11) | |
| C1 | 0.9891 (4) | 0.7451 (3) | 0.53615 (14) | 0.0346 (11) | |
| C2 | 1.0814 (4) | 0.6645 (3) | 0.54636 (16) | 0.0443 (14) | |
| C3 | 1.2180 (5) | 0.6703 (4) | 0.58042 (18) | 0.0551 (17) | |
| C4 | 1.2655 (5) | 0.7574 (4) | 0.60399 (18) | 0.0572 (18) | |
| C5 | 1.1760 (5) | 0.8389 (3) | 0.59423 (16) | 0.0518 (16) | |
| C6 | 1.0372 (4) | 0.8329 (3) | 0.56081 (15) | 0.0431 (14) | |
| C7 | 0.8431 (4) | 0.7388 (3) | 0.49870 (14) | 0.0316 (11) | |
| C8 | 0.7681 (4) | 0.6415 (3) | 0.49102 (15) | 0.0331 (11) | |
| C9 | 0.7156 (4) | 0.5941 (3) | 0.54105 (15) | 0.0351 (12) | |
| C10 | 0.6896 (5) | 0.4958 (3) | 0.54188 (18) | 0.0520 (17) | |
| C11 | 0.6362 (5) | 0.4532 (3) | 0.5883 (2) | 0.0650 (19) | |
| C12 | 0.6057 (5) | 0.5077 (4) | 0.6335 (2) | 0.0641 (19) | |
| C13 | 0.6267 (5) | 0.6055 (4) | 0.63283 (17) | 0.0541 (18) | |
| C14 | 0.6849 (4) | 0.6493 (3) | 0.58726 (16) | 0.0436 (14) | |
| C15 | 0.5333 (5) | 0.8437 (3) | 0.46300 (16) | 0.0450 (16) | |
| C16 | 0.3852 (4) | 0.8468 (3) | 0.42897 (15) | 0.0392 (12) | |
| C17 | 0.2613 (5) | 0.8829 (3) | 0.45179 (19) | 0.0579 (17) | |
| C18 | 0.1243 (5) | 0.8889 (3) | 0.4169 (2) | 0.0631 (19) | |
| C19 | 0.1184 (5) | 0.8602 (3) | 0.3623 (2) | 0.0598 (19) | |
| C20 | 0.2472 (5) | 0.8220 (3) | 0.34252 (18) | 0.0502 (17) | |
| C21 | 0.8909 (4) | 0.6034 (3) | 0.36920 (16) | 0.0417 (12) | |
| C22 | 0.9269 (4) | 0.6436 (3) | 0.31518 (15) | 0.0362 (12) | |
| C23 | 1.0385 (4) | 0.6025 (3) | 0.28678 (18) | 0.0510 (16) | |
| C24 | 1.0661 (5) | 0.6424 (4) | 0.23574 (19) | 0.0589 (19) | |
| C25 | 0.9829 (5) | 0.7200 (3) | 0.21479 (18) | 0.0569 (18) | |
| C26 | 0.8728 (5) | 0.7570 (3) | 0.24518 (17) | 0.0516 (16) | |
| H2 | 1.05060 | 0.60550 | 0.52990 | 0.0530* | |
| H3 | 1.27800 | 0.61530 | 0.58740 | 0.0660* | |
| H4 | 1.35840 | 0.76160 | 0.62660 | 0.0690* | |
| H5 | 1.20890 | 0.89790 | 0.61010 | 0.0620* | |
| H6 | 0.97610 | 0.88760 | 0.55490 | 0.0520* | |
| H10 | 0.70800 | 0.45790 | 0.51100 | 0.0620* | |
| H11 | 0.62100 | 0.38660 | 0.58880 | 0.0780* | |
| H12 | 0.57050 | 0.47830 | 0.66480 | 0.0770* | |
| H13 | 0.60190 | 0.64300 | 0.66300 | 0.0650* | |
| H14 | 0.70330 | 0.71560 | 0.58770 | 0.0520* | |
| H15 | 0.54270 | 0.86640 | 0.50020 | 0.0540* | |
| H17 | 0.26880 | 0.90280 | 0.48950 | 0.0690* | |
| H18 | 0.03770 | 0.91240 | 0.43100 | 0.0750* | |
| H19 | 0.02840 | 0.86610 | 0.33800 | 0.0720* | |
| H20 | 0.24080 | 0.80000 | 0.30520 | 0.0600* | |
| H21 | 0.94200 | 0.54850 | 0.38400 | 0.0500* | |
| H23 | 1.09360 | 0.54930 | 0.30180 | 0.0610* | |
| H24 | 1.14100 | 0.61660 | 0.21570 | 0.0710* | |
| H25 | 1.00020 | 0.74760 | 0.18030 | 0.0690* | |
| H26 | 0.81620 | 0.81000 | 0.23070 | 0.0620* |
| Hg1 | 0.0406 (1) | 0.0377 (1) | 0.0319 (1) | 0.0028 (1) | 0.0073 (1) | −0.0034 (1) |
| Hg2 | 0.0651 (1) | 0.0414 (1) | 0.0374 (1) | 0.0024 (1) | 0.0082 (1) | −0.0028 (1) |
| Cl1 | 0.0480 (6) | 0.0347 (6) | 0.0703 (7) | −0.0031 (5) | 0.0096 (5) | 0.0021 (5) |
| Cl2 | 0.0486 (6) | 0.0474 (6) | 0.0531 (6) | 0.0031 (5) | 0.0014 (5) | −0.0196 (5) |
| Cl3 | 0.1034 (10) | 0.0603 (8) | 0.0489 (7) | −0.0135 (7) | 0.0297 (7) | −0.0188 (6) |
| Cl4 | 0.0793 (8) | 0.0545 (7) | 0.0430 (6) | −0.0037 (6) | −0.0032 (6) | −0.0048 (5) |
| N1 | 0.0452 (19) | 0.037 (2) | 0.0329 (17) | −0.0006 (16) | 0.0013 (15) | −0.0003 (15) |
| N2 | 0.0432 (19) | 0.0331 (18) | 0.0310 (17) | 0.0027 (15) | 0.0001 (15) | −0.0007 (14) |
| N3 | 0.0425 (19) | 0.0355 (19) | 0.0342 (18) | −0.0027 (15) | 0.0019 (15) | 0.0019 (14) |
| N4 | 0.0486 (19) | 0.0345 (19) | 0.0313 (17) | −0.0030 (15) | 0.0041 (15) | −0.0012 (14) |
| N5 | 0.0472 (19) | 0.0383 (19) | 0.0258 (16) | −0.0045 (15) | 0.0051 (14) | −0.0060 (14) |
| N6 | 0.0398 (18) | 0.047 (2) | 0.0325 (17) | 0.0084 (16) | 0.0071 (14) | −0.0015 (15) |
| C1 | 0.040 (2) | 0.042 (2) | 0.0216 (18) | −0.0065 (18) | 0.0033 (16) | 0.0001 (16) |
| C2 | 0.044 (2) | 0.047 (3) | 0.040 (2) | −0.004 (2) | −0.0032 (19) | −0.0044 (19) |
| C3 | 0.044 (3) | 0.064 (3) | 0.055 (3) | 0.001 (2) | −0.004 (2) | −0.002 (2) |
| C4 | 0.052 (3) | 0.081 (4) | 0.037 (2) | −0.015 (3) | −0.002 (2) | 0.001 (2) |
| C5 | 0.065 (3) | 0.057 (3) | 0.034 (2) | −0.029 (2) | 0.009 (2) | −0.011 (2) |
| C6 | 0.048 (2) | 0.046 (3) | 0.035 (2) | −0.008 (2) | 0.0037 (19) | −0.0015 (19) |
| C7 | 0.0364 (19) | 0.032 (2) | 0.0267 (18) | −0.0028 (17) | 0.0056 (16) | 0.0003 (16) |
| C8 | 0.0323 (19) | 0.032 (2) | 0.034 (2) | 0.0006 (16) | 0.0002 (16) | 0.0004 (17) |
| C9 | 0.034 (2) | 0.036 (2) | 0.035 (2) | −0.0006 (17) | 0.0023 (16) | 0.0039 (17) |
| C10 | 0.069 (3) | 0.042 (3) | 0.047 (3) | −0.005 (2) | 0.015 (2) | 0.003 (2) |
| C11 | 0.072 (3) | 0.047 (3) | 0.079 (4) | −0.005 (2) | 0.021 (3) | 0.022 (3) |
| C12 | 0.056 (3) | 0.088 (4) | 0.050 (3) | −0.001 (3) | 0.013 (2) | 0.031 (3) |
| C13 | 0.048 (3) | 0.081 (4) | 0.035 (2) | 0.001 (2) | 0.012 (2) | 0.005 (2) |
| C14 | 0.045 (2) | 0.047 (3) | 0.039 (2) | −0.0078 (19) | 0.0054 (19) | −0.0036 (19) |
| C15 | 0.058 (3) | 0.047 (3) | 0.031 (2) | 0.005 (2) | 0.009 (2) | −0.0040 (19) |
| C16 | 0.045 (2) | 0.045 (2) | 0.029 (2) | −0.0008 (19) | 0.0098 (18) | 0.0050 (18) |
| C17 | 0.054 (3) | 0.076 (3) | 0.048 (3) | 0.004 (2) | 0.024 (2) | 0.003 (2) |
| C18 | 0.045 (3) | 0.065 (3) | 0.083 (4) | −0.002 (2) | 0.023 (3) | 0.004 (3) |
| C19 | 0.041 (3) | 0.052 (3) | 0.083 (4) | −0.010 (2) | −0.007 (3) | 0.004 (3) |
| C20 | 0.057 (3) | 0.040 (3) | 0.052 (3) | −0.011 (2) | 0.000 (2) | −0.001 (2) |
| C21 | 0.045 (2) | 0.039 (2) | 0.040 (2) | 0.0019 (19) | 0.0000 (19) | 0.0002 (19) |
| C22 | 0.035 (2) | 0.038 (2) | 0.035 (2) | −0.0014 (17) | 0.0018 (17) | −0.0053 (17) |
| C23 | 0.042 (2) | 0.058 (3) | 0.054 (3) | 0.016 (2) | 0.010 (2) | −0.001 (2) |
| C24 | 0.048 (3) | 0.078 (4) | 0.054 (3) | 0.005 (2) | 0.020 (2) | −0.012 (3) |
| C25 | 0.061 (3) | 0.077 (4) | 0.035 (2) | 0.005 (3) | 0.015 (2) | 0.001 (2) |
| C26 | 0.053 (3) | 0.067 (3) | 0.035 (2) | 0.009 (2) | 0.006 (2) | 0.005 (2) |
| Hg1—Cl1 | 2.5560 (10) | C12—C13 | 1.364 (8) |
| Hg1—Cl2 | 2.5488 (11) | C13—C14 | 1.388 (6) |
| Hg1—N2 | 2.471 (3) | C15—C16 | 1.458 (6) |
| Hg1—N3 | 2.499 (3) | C16—C17 | 1.372 (6) |
| Hg1—N5 | 2.558 (3) | C17—C18 | 1.389 (6) |
| Hg1—N6 | 2.435 (3) | C18—C19 | 1.348 (7) |
| Hg2—Cl1 | 2.7777 (10) | C19—C20 | 1.387 (6) |
| Hg2—Cl3 | 2.3328 (12) | C21—C22 | 1.464 (5) |
| Hg2—Cl4 | 2.3308 (12) | C22—C23 | 1.381 (5) |
| Hg2—Cl2i | 2.7227 (11) | C23—C24 | 1.377 (6) |
| N1—N2 | 1.392 (4) | C24—C25 | 1.361 (7) |
| N1—C7 | 1.282 (5) | C25—C26 | 1.376 (6) |
| N2—C15 | 1.254 (5) | C2—H2 | 0.9300 |
| N3—C16 | 1.339 (5) | C3—H3 | 0.9300 |
| N3—C20 | 1.331 (5) | C4—H4 | 0.9300 |
| N4—N5 | 1.387 (4) | C5—H5 | 0.9300 |
| N4—C8 | 1.282 (5) | C6—H6 | 0.9300 |
| N5—C21 | 1.265 (5) | C10—H10 | 0.9300 |
| N6—C22 | 1.330 (5) | C11—H11 | 0.9300 |
| N6—C26 | 1.337 (5) | C12—H12 | 0.9300 |
| C1—C2 | 1.385 (6) | C13—H13 | 0.9300 |
| C1—C6 | 1.391 (6) | C14—H14 | 0.9300 |
| C1—C7 | 1.483 (5) | C15—H15 | 0.9300 |
| C2—C3 | 1.376 (6) | C17—H17 | 0.9300 |
| C3—C4 | 1.371 (7) | C18—H18 | 0.9300 |
| C4—C5 | 1.380 (7) | C19—H19 | 0.9300 |
| C5—C6 | 1.385 (6) | C20—H20 | 0.9300 |
| C7—C8 | 1.501 (6) | C21—H21 | 0.9300 |
| C8—C9 | 1.476 (5) | C23—H23 | 0.9300 |
| C9—C10 | 1.377 (6) | C24—H24 | 0.9300 |
| C9—C14 | 1.387 (5) | C25—H25 | 0.9300 |
| C10—C11 | 1.379 (6) | C26—H26 | 0.9300 |
| C11—C12 | 1.362 (7) | ||
| Cl1—Hg1—Cl2 | 111.21 (4) | C9—C14—C13 | 120.0 (4) |
| Cl1—Hg1—N2 | 92.64 (7) | N2—C15—C16 | 121.4 (3) |
| Cl1—Hg1—N3 | 93.41 (7) | N3—C16—C15 | 116.6 (3) |
| Cl1—Hg1—N5 | 131.59 (8) | N3—C16—C17 | 123.3 (3) |
| Cl1—Hg1—N6 | 88.05 (7) | C15—C16—C17 | 120.1 (4) |
| Cl2—Hg1—N2 | 145.31 (8) | C16—C17—C18 | 118.1 (4) |
| Cl2—Hg1—N3 | 86.90 (7) | C17—C18—C19 | 119.2 (4) |
| Cl2—Hg1—N5 | 106.34 (7) | C18—C19—C20 | 119.7 (4) |
| Cl2—Hg1—N6 | 84.86 (7) | N3—C20—C19 | 122.1 (4) |
| N2—Hg1—N3 | 66.18 (11) | N5—C21—C22 | 121.0 (4) |
| N2—Hg1—N5 | 71.43 (9) | N6—C22—C21 | 116.7 (3) |
| N2—Hg1—N6 | 122.06 (11) | N6—C22—C23 | 122.5 (3) |
| N3—Hg1—N5 | 118.39 (10) | C21—C22—C23 | 120.8 (4) |
| N3—Hg1—N6 | 171.59 (10) | C22—C23—C24 | 118.3 (4) |
| N5—Hg1—N6 | 65.83 (10) | C23—C24—C25 | 119.4 (4) |
| Cl1—Hg2—Cl3 | 99.87 (4) | C24—C25—C26 | 119.2 (4) |
| Cl1—Hg2—Cl4 | 101.12 (4) | N6—C26—C25 | 122.1 (4) |
| Cl1—Hg2—Cl2i | 89.80 (3) | C1—C2—H2 | 119.00 |
| Cl3—Hg2—Cl4 | 147.23 (5) | C3—C2—H2 | 119.00 |
| Cl2i—Hg2—Cl3 | 101.86 (4) | C2—C3—H3 | 120.00 |
| Cl2i—Hg2—Cl4 | 103.09 (4) | C4—C3—H3 | 120.00 |
| Hg1—Cl1—Hg2 | 104.66 (3) | C3—C4—H4 | 120.00 |
| Hg1—Cl2—Hg2ii | 118.96 (4) | C5—C4—H4 | 120.00 |
| N2—N1—C7 | 116.6 (3) | C4—C5—H5 | 120.00 |
| Hg1—N2—N1 | 122.9 (2) | C6—C5—H5 | 120.00 |
| Hg1—N2—C15 | 118.4 (3) | C1—C6—H6 | 120.00 |
| N1—N2—C15 | 117.4 (3) | C5—C6—H6 | 120.00 |
| Hg1—N3—C16 | 116.9 (2) | C9—C10—H10 | 120.00 |
| Hg1—N3—C20 | 124.9 (3) | C11—C10—H10 | 120.00 |
| C16—N3—C20 | 117.7 (3) | C10—C11—H11 | 120.00 |
| N5—N4—C8 | 117.6 (3) | C12—C11—H11 | 120.00 |
| Hg1—N5—N4 | 124.2 (2) | C11—C12—H12 | 120.00 |
| Hg1—N5—C21 | 115.3 (2) | C13—C12—H12 | 120.00 |
| N4—N5—C21 | 117.8 (3) | C12—C13—H13 | 120.00 |
| Hg1—N6—C22 | 119.7 (2) | C14—C13—H13 | 120.00 |
| Hg1—N6—C26 | 121.3 (2) | C9—C14—H14 | 120.00 |
| C22—N6—C26 | 118.4 (3) | C13—C14—H14 | 120.00 |
| C2—C1—C6 | 118.8 (3) | N2—C15—H15 | 119.00 |
| C2—C1—C7 | 120.9 (4) | C16—C15—H15 | 119.00 |
| C6—C1—C7 | 120.4 (4) | C16—C17—H17 | 121.00 |
| C1—C2—C3 | 121.1 (4) | C18—C17—H17 | 121.00 |
| C2—C3—C4 | 119.8 (5) | C17—C18—H18 | 120.00 |
| C3—C4—C5 | 120.3 (4) | C19—C18—H18 | 120.00 |
| C4—C5—C6 | 120.1 (4) | C18—C19—H19 | 120.00 |
| C1—C6—C5 | 120.0 (4) | C20—C19—H19 | 120.00 |
| N1—C7—C1 | 117.3 (3) | N3—C20—H20 | 119.00 |
| N1—C7—C8 | 124.7 (3) | C19—C20—H20 | 119.00 |
| C1—C7—C8 | 117.9 (3) | N5—C21—H21 | 120.00 |
| N4—C8—C7 | 123.8 (3) | C22—C21—H21 | 120.00 |
| N4—C8—C9 | 117.7 (3) | C22—C23—H23 | 121.00 |
| C7—C8—C9 | 118.4 (3) | C24—C23—H23 | 121.00 |
| C8—C9—C10 | 121.2 (4) | C23—C24—H24 | 120.00 |
| C8—C9—C14 | 120.0 (4) | C25—C24—H24 | 120.00 |
| C10—C9—C14 | 118.8 (4) | C24—C25—H25 | 120.00 |
| C9—C10—C11 | 120.4 (4) | C26—C25—H25 | 120.00 |
| C10—C11—C12 | 120.6 (4) | N6—C26—H26 | 119.00 |
| C11—C12—C13 | 119.9 (4) | C25—C26—H26 | 119.00 |
| C12—C13—C14 | 120.3 (4) | ||
| Cl2—Hg1—Cl1—Hg2 | 62.36 (4) | C16—N3—C20—C19 | 0.7 (6) |
| N2—Hg1—Cl1—Hg2 | −91.91 (9) | Hg1—N3—C16—C17 | 173.4 (3) |
| N3—Hg1—Cl1—Hg2 | −25.64 (8) | C20—N3—C16—C17 | 1.2 (6) |
| N5—Hg1—Cl1—Hg2 | −159.25 (9) | C20—N3—C16—C15 | −177.0 (4) |
| N6—Hg1—Cl1—Hg2 | 146.07 (8) | Hg1—N3—C20—C19 | −170.8 (3) |
| N3—Hg1—N2—N1 | −173.7 (3) | N5—N4—C8—C7 | −7.7 (5) |
| N5—Hg1—N2—N1 | 52.1 (2) | C8—N4—N5—C21 | 122.7 (4) |
| Cl1—Hg1—N5—N4 | 125.2 (2) | N5—N4—C8—C9 | 175.4 (3) |
| Cl1—Hg1—Cl2—Hg2ii | 112.83 (5) | C8—N4—N5—Hg1 | −76.8 (4) |
| N2—Hg1—Cl2—Hg2ii | −116.81 (13) | Hg1—N5—C21—C22 | 11.5 (5) |
| N3—Hg1—Cl2—Hg2ii | −154.71 (8) | N4—N5—C21—C22 | 173.7 (3) |
| N5—Hg1—Cl2—Hg2ii | −36.01 (9) | Hg1—N6—C22—C21 | −7.5 (4) |
| N6—Hg1—Cl2—Hg2ii | 26.94 (8) | C22—N6—C26—C25 | 0.4 (6) |
| Cl2—Hg1—N5—C21 | 65.9 (3) | C26—N6—C22—C23 | −0.7 (5) |
| N2—Hg1—N5—C21 | −150.4 (3) | Hg1—N6—C26—C25 | −171.1 (3) |
| N3—Hg1—N5—C21 | 161.3 (3) | C26—N6—C22—C21 | −179.1 (3) |
| N6—Hg1—N5—C21 | −10.5 (3) | Hg1—N6—C22—C23 | 170.9 (3) |
| Cl1—Hg1—N6—C22 | 147.2 (3) | C7—C1—C6—C5 | −177.9 (3) |
| Cl1—Hg1—N2—N1 | −81.1 (2) | C7—C1—C2—C3 | 179.1 (4) |
| Cl2—Hg1—N2—N1 | 144.20 (19) | C2—C1—C7—N1 | −158.9 (3) |
| N5—Hg1—N3—C20 | −132.0 (3) | C6—C1—C7—C8 | −157.5 (3) |
| N5—Hg1—N6—C22 | 9.2 (3) | C6—C1—C7—N1 | 19.8 (5) |
| N6—Hg1—N2—N1 | 8.2 (3) | C6—C1—C2—C3 | 0.3 (6) |
| Cl1—Hg1—N2—C15 | 85.7 (3) | C2—C1—C7—C8 | 23.8 (5) |
| Cl2—Hg1—N2—C15 | −49.0 (3) | C2—C1—C6—C5 | 0.9 (5) |
| N3—Hg1—N2—C15 | −6.9 (3) | C1—C2—C3—C4 | −1.1 (6) |
| N5—Hg1—N2—C15 | −141.1 (3) | C2—C3—C4—C5 | 0.8 (6) |
| N6—Hg1—N2—C15 | 175.0 (3) | C3—C4—C5—C6 | 0.4 (6) |
| Cl1—Hg1—N3—C16 | −85.6 (3) | C4—C5—C6—C1 | −1.2 (6) |
| Cl2—Hg1—N3—C16 | 163.4 (3) | N1—C7—C8—C9 | −113.3 (4) |
| N2—Hg1—N3—C16 | 5.8 (2) | C1—C7—C8—C9 | 63.8 (4) |
| N5—Hg1—N3—C16 | 56.5 (3) | C1—C7—C8—N4 | −113.1 (4) |
| Cl1—Hg1—N3—C20 | 86.0 (3) | N1—C7—C8—N4 | 69.8 (5) |
| Cl2—Hg1—N3—C20 | −25.1 (3) | N4—C8—C9—C14 | −159.8 (3) |
| N2—Hg1—N3—C20 | 177.4 (3) | C7—C8—C9—C14 | 23.0 (5) |
| N2—Hg1—N6—C22 | 55.3 (3) | N4—C8—C9—C10 | 17.2 (5) |
| Cl1—Hg1—N5—C21 | −73.9 (3) | C7—C8—C9—C10 | −159.9 (4) |
| Cl1—Hg1—N6—C26 | −41.4 (3) | C10—C9—C14—C13 | −1.0 (6) |
| Cl2—Hg1—N6—C26 | 70.1 (3) | C8—C9—C14—C13 | 176.1 (4) |
| Cl2—Hg1—N5—N4 | −95.0 (2) | C8—C9—C10—C11 | −178.0 (4) |
| N2—Hg1—N5—N4 | 48.7 (2) | C14—C9—C10—C11 | −1.0 (6) |
| N3—Hg1—N5—N4 | 0.4 (3) | C9—C10—C11—C12 | 1.2 (7) |
| N6—Hg1—N5—N4 | −171.5 (3) | C10—C11—C12—C13 | 0.6 (7) |
| Cl2—Hg1—N6—C22 | −101.3 (3) | C11—C12—C13—C14 | −2.6 (7) |
| N2—Hg1—N6—C26 | −133.3 (3) | C12—C13—C14—C9 | 2.9 (6) |
| N5—Hg1—N6—C26 | −179.5 (3) | N2—C15—C16—C17 | −180.0 (4) |
| Cl4—Hg2—Cl1—Hg1 | −62.53 (5) | N2—C15—C16—N3 | −1.8 (6) |
| Cl1ii—Hg2ii—Cl2—Hg1 | 148.59 (5) | N3—C16—C17—C18 | −1.2 (6) |
| Cl3ii—Hg2ii—Cl2—Hg1 | −111.36 (5) | C15—C16—C17—C18 | 176.8 (4) |
| Cl4ii—Hg2ii—Cl2—Hg1 | 47.22 (6) | C16—C17—C18—C19 | −0.6 (6) |
| Cl3—Hg2—Cl1—Hg1 | 92.17 (5) | C17—C18—C19—C20 | 2.4 (6) |
| Cl2i—Hg2—Cl1—Hg1 | −165.83 (4) | C18—C19—C20—N3 | −2.5 (6) |
| C7—N1—N2—Hg1 | −85.4 (3) | N5—C21—C22—C23 | 178.3 (4) |
| N2—N1—C7—C1 | −178.5 (3) | N5—C21—C22—N6 | −3.3 (5) |
| C7—N1—N2—C15 | 107.7 (4) | C21—C22—C23—C24 | 179.1 (4) |
| N2—N1—C7—C8 | −1.4 (5) | N6—C22—C23—C24 | 0.8 (6) |
| N1—N2—C15—C16 | 175.1 (3) | C22—C23—C24—C25 | −0.4 (6) |
| Hg1—N2—C15—C16 | 7.5 (5) | C23—C24—C25—C26 | 0.0 (7) |
| Hg1—N3—C16—C15 | −4.7 (4) | C24—C25—C26—N6 | 0.0 (7) |
| H··· | ||||
| C14—H14···Cl3iii | 0.93 | 2.82 | 3.647 (4) | 149 |
| C25—H25··· | 0.93 | 2.96 | 3.814 (5) | 153 |
Selected bond lengths (Å)
| Hg1—Cl1 | 2.5560 (10) |
| Hg1—Cl2 | 2.5488 (11) |
| Hg1—N2 | 2.471 (3) |
| Hg1—N3 | 2.499 (3) |
| Hg1—N5 | 2.558 (3) |
| Hg1—N6 | 2.435 (3) |
| Hg2—Cl1 | 2.7777 (10) |
| Hg2—Cl3 | 2.3328 (12) |
| Hg2—Cl4 | 2.3308 (12) |
| Hg2—Cl2i | 2.7227 (11) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
Cg5 is the centroid of the C1–C6 phenyl ring.
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C14—H14⋯Cl3ii | 0.93 | 2.82 | 3.647 (4) | 149 |
| C25—H25⋯ | 0.93 | 2.96 | 3.814 (5) | 153 |
Symmetry codes: (ii) ; (iii) .