| Literature DB >> 22199479 |
Hong-Wei Wang, Wan-Lan Liu, Yu-Quan Feng.
Abstract
In the title compound, [CuCl(C(10)H(8)N(2))(2)](2)[Bi(2)Cl(4)(C(7)H(3)NO(4))(2)(H(2)O)(2)]·5H(2)O, the dianion [Bi(2)Cl(4)(C(7)H(3)NO(4))(2)(H(2)O)(2)](2-) is located about an inversion center. The Cu(II) atom of the cation is coordinated by four N atoms of the two chelating 2,2'-bypyridine ligands and one Cl(-) ion, completing a distorted trigonal-bipyramidal coordination environment. In the anion, each Bi(III) atom is seven-coordinate and is bonded to a tridentate pyridine-2,6-dicarboxyl-ate ligand, a water mol-ecule, two chloride ions and a bridging carboxyl-ate O atom of another carboxyl-ate ligand. The coordination geometry of Bi(III) is distorted penta-gonal-bipyramidal with the Cl(-) ions located in axial positions. The structure of the dianion is additionally stabilized by an intra-molecular O-H⋯O hydrogen bond between the coordinated water mol-ecule and carboxyl-ate O atom. In the crystal, O-H⋯O hydrogen bonds occur . The H atoms of the solvent water mol-ecules could not be located.Entities:
Year: 2011 PMID: 22199479 PMCID: PMC3238588 DOI: 10.1107/S1600536811045259
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CuCl(C10H8N2)2]2[Bi2Cl4(C7H3NO4)2(H2O)2]·5H2O | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 8126 reflections |
| θ = 2.4–28.1° | |
| µ = 6.41 mm−1 | |
| β = 110.130 (4)° | Block, blue |
| 0.18 × 0.16 × 0.15 mm | |
| Bruker APEXII CCD diffractometer | 5684 independent reflections |
| Radiation source: fine-focus sealed tube | 4963 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 1.8° |
| Absorption correction: multi-scan ( | |
| 16290 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 atoms treated by a mixture of independent and constrained refinement | |
| 5684 reflections | (Δ/σ)max = 0.002 |
| 408 parameters | Δρmax = 0.88 e Å−3 |
| 3 restraints | Δρmin = −0.74 e Å−3 |
| Bi1 | 0.025844 (6) | 0.242343 (7) | 0.610971 (11) | 0.02982 (6) | |
| C1 | 0.12686 (18) | 0.23152 (18) | 0.8542 (3) | 0.0326 (9) | |
| C2 | 0.16677 (19) | 0.24402 (17) | 0.7868 (3) | 0.0327 (9) | |
| C3 | 0.23102 (19) | 0.25200 (18) | 0.8283 (4) | 0.0402 (10) | |
| H3A | 0.2521 | 0.2502 | 0.9000 | 0.048* | |
| C4 | 0.2625 (2) | 0.2627 (2) | 0.7598 (4) | 0.0526 (13) | |
| H4A | 0.3055 | 0.2683 | 0.7856 | 0.063* | |
| C5 | 0.2309 (2) | 0.2652 (2) | 0.6536 (4) | 0.0457 (11) | |
| H5A | 0.2522 | 0.2712 | 0.6073 | 0.055* | |
| C6 | 0.16695 (18) | 0.25867 (17) | 0.6173 (3) | 0.0321 (9) | |
| C7 | 0.1267 (2) | 0.26348 (19) | 0.5032 (4) | 0.0379 (10) | |
| C8 | 0.1129 (2) | 0.0957 (2) | 0.1789 (4) | 0.0517 (12) | |
| H8A | 0.0951 | 0.0875 | 0.1079 | 0.062* | |
| C9 | 0.0795 (2) | 0.1308 (2) | 0.2266 (4) | 0.0578 (13) | |
| H9A | 0.0403 | 0.1458 | 0.1883 | 0.069* | |
| C10 | 0.1061 (3) | 0.1424 (2) | 0.3317 (5) | 0.0612 (14) | |
| H10A | 0.0845 | 0.1646 | 0.3663 | 0.073* | |
| C11 | 0.1655 (2) | 0.1207 (2) | 0.3858 (4) | 0.0525 (12) | |
| H11A | 0.1842 | 0.1287 | 0.4567 | 0.063* | |
| C12 | 0.1965 (2) | 0.08714 (19) | 0.3336 (4) | 0.0416 (10) | |
| C13 | 0.2607 (2) | 0.0635 (2) | 0.3840 (3) | 0.0413 (10) | |
| C14 | 0.2988 (2) | 0.0786 (2) | 0.4839 (4) | 0.0592 (13) | |
| H14A | 0.2846 | 0.1048 | 0.5242 | 0.071* | |
| C15 | 0.3586 (2) | 0.0543 (3) | 0.5239 (4) | 0.0638 (14) | |
| H15A | 0.3848 | 0.0646 | 0.5907 | 0.077* | |
| C16 | 0.3783 (2) | 0.0150 (2) | 0.4636 (4) | 0.0610 (14) | |
| H16A | 0.4180 | −0.0019 | 0.4889 | 0.073* | |
| C17 | 0.3379 (2) | 0.0010 (2) | 0.3640 (4) | 0.0538 (12) | |
| H17A | 0.3510 | −0.0259 | 0.3232 | 0.065* | |
| C18 | 0.1123 (2) | −0.0074 (2) | −0.0053 (4) | 0.0475 (11) | |
| H18A | 0.1014 | −0.0336 | 0.0390 | 0.057* | |
| C19 | 0.0703 (2) | 0.0024 (2) | −0.1038 (4) | 0.0530 (12) | |
| H19A | 0.0315 | −0.0163 | −0.1256 | 0.064* | |
| C20 | 0.0872 (2) | 0.0408 (2) | −0.1695 (4) | 0.0538 (12) | |
| H20A | 0.0595 | 0.0486 | −0.2364 | 0.065* | |
| C21 | 0.1451 (2) | 0.0674 (2) | −0.1356 (4) | 0.0461 (11) | |
| H21A | 0.1572 | 0.0926 | −0.1799 | 0.055* | |
| C22 | 0.18524 (18) | 0.05626 (17) | −0.0343 (3) | 0.0349 (9) | |
| C23 | 0.24907 (18) | 0.08145 (18) | 0.0105 (3) | 0.0367 (10) | |
| C24 | 0.2784 (2) | 0.1136 (2) | −0.0478 (4) | 0.0468 (11) | |
| H24A | 0.2573 | 0.1218 | −0.1181 | 0.056* | |
| C25 | 0.3389 (2) | 0.1332 (2) | 0.0002 (4) | 0.0553 (13) | |
| H25A | 0.3594 | 0.1540 | −0.0378 | 0.066* | |
| C26 | 0.3683 (2) | 0.1215 (2) | 0.1044 (4) | 0.0535 (12) | |
| H26A | 0.4089 | 0.1346 | 0.1385 | 0.064* | |
| C27 | 0.3365 (2) | 0.0900 (2) | 0.1577 (4) | 0.0488 (11) | |
| H27A | 0.3565 | 0.0826 | 0.2286 | 0.059* | |
| Cl1 | 0.03209 (6) | 0.36683 (7) | 0.61824 (12) | 0.0693 (4) | |
| Cl2 | 0.03436 (7) | 0.12583 (6) | 0.58147 (13) | 0.0695 (4) | |
| Cl3 | 0.22828 (6) | −0.08940 (5) | 0.17806 (10) | 0.0560 (3) | |
| Cu1 | 0.22536 (2) | 0.01472 (2) | 0.17652 (4) | 0.04341 (14) | |
| N1 | 0.13659 (14) | 0.24776 (13) | 0.6839 (3) | 0.0299 (7) | |
| N2 | 0.16967 (16) | 0.07324 (16) | 0.2309 (3) | 0.0413 (8) | |
| N3 | 0.28081 (16) | 0.02474 (16) | 0.3248 (3) | 0.0440 (9) | |
| N4 | 0.16815 (15) | 0.01917 (15) | 0.0295 (3) | 0.0386 (8) | |
| N5 | 0.27864 (15) | 0.06980 (15) | 0.1128 (3) | 0.0390 (8) | |
| O1 | 0.06762 (13) | 0.23135 (14) | 0.8042 (2) | 0.0413 (7) | |
| O2 | 0.15260 (13) | 0.22296 (15) | 0.9484 (2) | 0.0471 (7) | |
| O3 | 0.06808 (14) | 0.25476 (14) | 0.4818 (2) | 0.0455 (8) | |
| O4 | 0.15195 (14) | 0.27517 (16) | 0.4391 (2) | 0.0516 (8) | |
| O5 | −0.06953 (17) | 0.2428 (2) | 0.4468 (3) | 0.0731 (12) | |
| O1W | 0.0000 | 0.5052 (4) | 0.7500 | 0.173 (4) | |
| H1 | −0.073 (5) | 0.257 (5) | 0.389 (4) | 0.208* | |
| H2 | −0.103 (3) | 0.233 (5) | 0.454 (9) | 0.208* | |
| O3W | −0.0652 (3) | 0.2915 (3) | 0.2650 (4) | 0.151 (3) | |
| O2W | 0.4613 (3) | −0.0920 (3) | 0.3689 (4) | 0.1270 (19) |
| Bi1 | 0.02219 (9) | 0.04836 (10) | 0.01923 (9) | 0.00043 (6) | 0.00754 (6) | −0.00092 (6) |
| C1 | 0.028 (2) | 0.044 (2) | 0.025 (2) | 0.0032 (17) | 0.0069 (17) | −0.0018 (17) |
| C2 | 0.029 (2) | 0.038 (2) | 0.029 (2) | 0.0015 (15) | 0.0080 (18) | −0.0032 (17) |
| C3 | 0.027 (2) | 0.057 (3) | 0.032 (3) | −0.0022 (17) | 0.0046 (18) | −0.0015 (19) |
| C4 | 0.022 (2) | 0.083 (3) | 0.047 (3) | −0.005 (2) | 0.004 (2) | 0.007 (2) |
| C5 | 0.034 (2) | 0.064 (3) | 0.045 (3) | −0.005 (2) | 0.021 (2) | 0.002 (2) |
| C6 | 0.028 (2) | 0.042 (2) | 0.028 (2) | −0.0020 (16) | 0.0118 (18) | −0.0032 (17) |
| C7 | 0.037 (2) | 0.049 (2) | 0.032 (2) | −0.0020 (18) | 0.018 (2) | −0.0033 (19) |
| C8 | 0.055 (3) | 0.054 (3) | 0.044 (3) | 0.006 (2) | 0.014 (2) | 0.003 (2) |
| C9 | 0.053 (3) | 0.059 (3) | 0.063 (4) | 0.001 (2) | 0.022 (3) | 0.002 (3) |
| C10 | 0.069 (4) | 0.059 (3) | 0.067 (4) | 0.000 (3) | 0.039 (3) | −0.008 (3) |
| C11 | 0.064 (3) | 0.051 (3) | 0.046 (3) | −0.012 (2) | 0.023 (2) | −0.009 (2) |
| C12 | 0.047 (3) | 0.040 (2) | 0.039 (3) | −0.0089 (19) | 0.017 (2) | 0.002 (2) |
| C13 | 0.049 (3) | 0.046 (2) | 0.030 (2) | −0.012 (2) | 0.015 (2) | 0.0052 (19) |
| C14 | 0.063 (3) | 0.079 (4) | 0.035 (3) | −0.017 (3) | 0.016 (2) | −0.009 (3) |
| C15 | 0.059 (3) | 0.089 (4) | 0.035 (3) | −0.017 (3) | 0.006 (3) | −0.002 (3) |
| C16 | 0.048 (3) | 0.073 (4) | 0.051 (3) | −0.005 (2) | 0.002 (2) | 0.014 (3) |
| C17 | 0.053 (3) | 0.060 (3) | 0.046 (3) | 0.004 (2) | 0.013 (2) | 0.008 (2) |
| C18 | 0.043 (3) | 0.055 (3) | 0.041 (3) | −0.008 (2) | 0.011 (2) | 0.005 (2) |
| C19 | 0.038 (2) | 0.062 (3) | 0.052 (3) | −0.003 (2) | 0.007 (2) | −0.003 (2) |
| C20 | 0.046 (3) | 0.067 (3) | 0.037 (3) | 0.007 (2) | −0.001 (2) | −0.001 (2) |
| C21 | 0.052 (3) | 0.049 (3) | 0.037 (3) | 0.005 (2) | 0.016 (2) | 0.006 (2) |
| C22 | 0.040 (2) | 0.035 (2) | 0.032 (2) | 0.0012 (17) | 0.0138 (18) | −0.0058 (18) |
| C23 | 0.045 (3) | 0.033 (2) | 0.036 (3) | 0.0007 (17) | 0.020 (2) | −0.0029 (18) |
| C24 | 0.060 (3) | 0.046 (3) | 0.038 (3) | −0.008 (2) | 0.021 (2) | −0.003 (2) |
| C25 | 0.067 (3) | 0.048 (3) | 0.061 (4) | −0.019 (2) | 0.036 (3) | −0.009 (2) |
| C26 | 0.049 (3) | 0.052 (3) | 0.060 (4) | −0.015 (2) | 0.019 (3) | −0.009 (2) |
| C27 | 0.047 (3) | 0.054 (3) | 0.041 (3) | −0.005 (2) | 0.009 (2) | −0.003 (2) |
| Cl1 | 0.0662 (9) | 0.0669 (8) | 0.0728 (10) | −0.0064 (6) | 0.0214 (7) | −0.0097 (7) |
| Cl2 | 0.0781 (9) | 0.0537 (7) | 0.0808 (10) | 0.0080 (6) | 0.0326 (8) | 0.0003 (7) |
| Cl3 | 0.0835 (9) | 0.0496 (6) | 0.0356 (6) | 0.0040 (6) | 0.0213 (6) | 0.0012 (5) |
| Cu1 | 0.0458 (3) | 0.0514 (3) | 0.0292 (3) | −0.0035 (2) | 0.0081 (2) | 0.0028 (2) |
| N1 | 0.0232 (16) | 0.0408 (19) | 0.0261 (19) | 0.0002 (12) | 0.0092 (14) | −0.0019 (14) |
| N2 | 0.045 (2) | 0.046 (2) | 0.034 (2) | −0.0004 (16) | 0.0153 (17) | 0.0033 (16) |
| N3 | 0.044 (2) | 0.050 (2) | 0.033 (2) | −0.0016 (17) | 0.0084 (17) | 0.0047 (17) |
| N4 | 0.0390 (19) | 0.044 (2) | 0.031 (2) | −0.0048 (15) | 0.0089 (15) | −0.0021 (16) |
| N5 | 0.0378 (19) | 0.046 (2) | 0.031 (2) | −0.0052 (15) | 0.0085 (16) | −0.0026 (16) |
| O1 | 0.0284 (15) | 0.070 (2) | 0.0261 (16) | 0.0004 (13) | 0.0101 (12) | 0.0002 (14) |
| O2 | 0.0369 (16) | 0.077 (2) | 0.0258 (17) | 0.0039 (15) | 0.0083 (13) | 0.0036 (15) |
| O3 | 0.0317 (16) | 0.080 (2) | 0.0268 (17) | −0.0045 (13) | 0.0126 (13) | −0.0020 (14) |
| O4 | 0.0481 (18) | 0.082 (2) | 0.0329 (18) | −0.0098 (16) | 0.0247 (15) | −0.0006 (17) |
| O5 | 0.036 (2) | 0.143 (4) | 0.032 (2) | 0.0002 (19) | 0.0021 (16) | 0.001 (2) |
| O1W | 0.187 (9) | 0.111 (6) | 0.191 (11) | 0.000 | 0.026 (8) | 0.000 |
| O3W | 0.221 (6) | 0.136 (5) | 0.053 (3) | −0.077 (5) | −0.009 (4) | 0.012 (3) |
| O2W | 0.149 (5) | 0.119 (4) | 0.110 (5) | 0.006 (4) | 0.040 (4) | −0.011 (3) |
| Bi1—O3 | 2.297 (3) | C14—H14A | 0.9300 |
| Bi1—N1 | 2.385 (3) | C15—C16 | 1.373 (8) |
| Bi1—O1 | 2.485 (3) | C15—H15A | 0.9300 |
| Bi1—O5 | 2.531 (4) | C16—C17 | 1.390 (7) |
| Bi1—Cl2 | 2.6174 (15) | C16—H16A | 0.9300 |
| Bi1—Cl1 | 2.7479 (16) | C17—N3 | 1.336 (5) |
| C1—O2 | 1.229 (5) | C17—H17A | 0.9300 |
| C1—O1 | 1.290 (5) | C18—N4 | 1.336 (5) |
| C1—C2 | 1.527 (6) | C18—C19 | 1.372 (6) |
| C2—N1 | 1.335 (5) | C18—H18A | 0.9300 |
| C2—C3 | 1.393 (6) | C19—C20 | 1.380 (7) |
| C3—C4 | 1.382 (7) | C19—H19A | 0.9300 |
| C3—H3A | 0.9300 | C20—C21 | 1.375 (6) |
| C4—C5 | 1.379 (7) | C20—H20A | 0.9300 |
| C4—H4A | 0.9300 | C21—C22 | 1.392 (6) |
| C5—C6 | 1.382 (6) | C21—H21A | 0.9300 |
| C5—H5A | 0.9300 | C22—N4 | 1.347 (5) |
| C6—N1 | 1.341 (5) | C22—C23 | 1.483 (5) |
| C6—C7 | 1.515 (6) | C23—N5 | 1.349 (5) |
| C7—O4 | 1.229 (5) | C23—C24 | 1.396 (6) |
| C7—O3 | 1.285 (5) | C24—C25 | 1.381 (6) |
| C8—N2 | 1.341 (6) | C24—H24A | 0.9300 |
| C8—C9 | 1.395 (7) | C25—C26 | 1.371 (7) |
| C8—H8A | 0.9300 | C25—H25A | 0.9300 |
| C9—C10 | 1.374 (7) | C26—C27 | 1.381 (6) |
| C9—H9A | 0.9300 | C26—H26A | 0.9300 |
| C10—C11 | 1.390 (7) | C27—N5 | 1.329 (5) |
| C10—H10A | 0.9300 | C27—H27A | 0.9300 |
| C11—C12 | 1.380 (6) | Cl3—Cu1 | 2.2962 (14) |
| C11—H11A | 0.9300 | Cu1—N4 | 1.983 (3) |
| C12—N2 | 1.355 (6) | Cu1—N3 | 1.994 (4) |
| C12—C13 | 1.485 (6) | Cu1—N5 | 2.107 (3) |
| C13—N3 | 1.360 (6) | Cu1—N2 | 2.118 (4) |
| C13—C14 | 1.380 (6) | O5—H1 | 0.83 (2) |
| C14—C15 | 1.393 (7) | O5—H2 | 0.83 (2) |
| O3—Bi1—N1 | 69.30 (11) | N3—C17—C16 | 122.3 (5) |
| O3—Bi1—O1 | 135.54 (10) | N3—C17—H17A | 118.9 |
| N1—Bi1—O1 | 66.26 (10) | C16—C17—H17A | 118.9 |
| O3—Bi1—O5 | 77.55 (13) | N4—C18—C19 | 122.7 (4) |
| N1—Bi1—O5 | 146.83 (13) | N4—C18—H18A | 118.6 |
| O1—Bi1—O5 | 146.85 (12) | C19—C18—H18A | 118.6 |
| O3—Bi1—Cl2 | 85.76 (8) | C18—C19—C20 | 118.2 (4) |
| N1—Bi1—Cl2 | 89.34 (8) | C18—C19—H19A | 120.9 |
| O1—Bi1—Cl2 | 92.60 (8) | C20—C19—H19A | 120.9 |
| O5—Bi1—Cl2 | 87.41 (12) | C19—C20—C21 | 119.8 (4) |
| O3—Bi1—Cl1 | 83.01 (8) | C19—C20—H20A | 120.1 |
| N1—Bi1—Cl1 | 84.28 (8) | C21—C20—H20A | 120.1 |
| O1—Bi1—Cl1 | 93.61 (8) | C20—C21—C22 | 119.2 (4) |
| O5—Bi1—Cl1 | 92.67 (12) | C20—C21—H21A | 120.4 |
| Cl2—Bi1—Cl1 | 168.47 (5) | C22—C21—H21A | 120.4 |
| O2—C1—O1 | 126.1 (4) | N4—C22—C21 | 120.6 (4) |
| O2—C1—C2 | 119.0 (3) | N4—C22—C23 | 115.2 (4) |
| O1—C1—C2 | 114.9 (4) | C21—C22—C23 | 124.2 (4) |
| N1—C2—C3 | 120.7 (4) | N5—C23—C24 | 121.1 (4) |
| N1—C2—C1 | 116.3 (3) | N5—C23—C22 | 115.3 (3) |
| C3—C2—C1 | 123.0 (4) | C24—C23—C22 | 123.6 (4) |
| C4—C3—C2 | 118.1 (4) | C25—C24—C23 | 119.3 (4) |
| C4—C3—H3A | 121.0 | C25—C24—H24A | 120.4 |
| C2—C3—H3A | 121.0 | C23—C24—H24A | 120.4 |
| C5—C4—C3 | 120.5 (4) | C26—C25—C24 | 119.2 (4) |
| C5—C4—H4A | 119.7 | C26—C25—H25A | 120.4 |
| C3—C4—H4A | 119.7 | C24—C25—H25A | 120.4 |
| C6—C5—C4 | 118.7 (4) | C25—C26—C27 | 118.6 (4) |
| C6—C5—H5A | 120.6 | C25—C26—H26A | 120.7 |
| C4—C5—H5A | 120.6 | C27—C26—H26A | 120.7 |
| N1—C6—C5 | 120.5 (4) | N5—C27—C26 | 123.3 (5) |
| N1—C6—C7 | 115.7 (3) | N5—C27—H27A | 118.4 |
| C5—C6—C7 | 123.8 (4) | C26—C27—H27A | 118.4 |
| O4—C7—O3 | 125.5 (4) | N4—Cu1—N3 | 170.69 (14) |
| O4—C7—C6 | 118.4 (4) | N4—Cu1—N5 | 80.20 (13) |
| O3—C7—C6 | 116.1 (4) | N3—Cu1—N5 | 95.56 (14) |
| N2—C8—C9 | 123.0 (5) | N4—Cu1—N2 | 93.21 (14) |
| N2—C8—H8A | 118.5 | N3—Cu1—N2 | 80.07 (15) |
| C9—C8—H8A | 118.5 | N5—Cu1—N2 | 107.23 (14) |
| C10—C9—C8 | 118.2 (5) | N4—Cu1—Cl3 | 93.77 (10) |
| C10—C9—H9A | 120.9 | N3—Cu1—Cl3 | 95.46 (11) |
| C8—C9—H9A | 120.9 | N5—Cu1—Cl3 | 124.09 (10) |
| C9—C10—C11 | 119.2 (5) | N2—Cu1—Cl3 | 128.65 (10) |
| C9—C10—H10A | 120.4 | C2—N1—C6 | 121.4 (3) |
| C11—C10—H10A | 120.4 | C2—N1—Bi1 | 121.7 (3) |
| C12—C11—C10 | 119.7 (5) | C6—N1—Bi1 | 116.8 (3) |
| C12—C11—H11A | 120.2 | C8—N2—C12 | 118.3 (4) |
| C10—C11—H11A | 120.2 | C8—N2—Cu1 | 129.0 (3) |
| N2—C12—C11 | 121.4 (4) | C12—N2—Cu1 | 112.6 (3) |
| N2—C12—C13 | 115.1 (4) | C17—N3—C13 | 119.5 (4) |
| C11—C12—C13 | 123.5 (4) | C17—N3—Cu1 | 123.7 (3) |
| N3—C13—C14 | 120.6 (4) | C13—N3—Cu1 | 116.4 (3) |
| N3—C13—C12 | 115.4 (4) | C18—N4—C22 | 119.4 (4) |
| C14—C13—C12 | 124.0 (4) | C18—N4—Cu1 | 123.7 (3) |
| C13—C14—C15 | 119.7 (5) | C22—N4—Cu1 | 116.5 (3) |
| C13—C14—H14A | 120.1 | C27—N5—C23 | 118.5 (4) |
| C15—C14—H14A | 120.1 | C27—N5—Cu1 | 129.0 (3) |
| C16—C15—C14 | 119.2 (5) | C23—N5—Cu1 | 112.3 (3) |
| C16—C15—H15A | 120.4 | C1—O1—Bi1 | 120.7 (2) |
| C14—C15—H15A | 120.4 | C7—O3—Bi1 | 121.7 (3) |
| C15—C16—C17 | 118.6 (5) | Bi1—O5—H1 | 128 (8) |
| C15—C16—H16A | 120.7 | Bi1—O5—H2 | 117 (8) |
| C17—C16—H16A | 120.7 | H1—O5—H2 | 114 (5) |
| H··· | ||||
| O5—H1···O3W | 0.83 (2) | 1.92 (3) | 2.733 (7) | 169 (11) |
| O5—H2···O2i | 0.83 (2) | 2.04 (6) | 2.777 (5) | 147 (10) |
Selected bond lengths (Å)
| Bi1—O3 | 2.297 (3) |
| Bi1—N1 | 2.385 (3) |
| Bi1—O1 | 2.485 (3) |
| Bi1—O5 | 2.531 (4) |
| Bi1—Cl2 | 2.6174 (15) |
| Bi1—Cl1 | 2.7479 (16) |
| Cl3—Cu1 | 2.2962 (14) |
| Cu1—N4 | 1.983 (3) |
| Cu1—N3 | 1.994 (4) |
| Cu1—N5 | 2.107 (3) |
| Cu1—N2 | 2.118 (4) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O5—H1⋯O3 | 0.83 (2) | 1.92 (3) | 2.733 (7) | 169 (11) |
| O5—H2⋯O2i | 0.83 (2) | 2.04 (6) | 2.777 (5) | 147 (10) |
Symmetry code: (i) .