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Information card for entry 2023471
Preview
| Coordinates | 2023471.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Di-μ~3~-chlorido-1:2:3κ^3^<i>Cl</i>;2:3:4κ^3^<i>Cl</i>-di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ^2^<i>O</i>,<i>N</i>^4^)chloridocadmium(II)] 1.7-hydrate |
|---|---|
| Formula | C44 H55.4 Cd4 Cl8 N12 O5.7 |
| Calculated formula | C44 H55.4 Cd4 Cl8 N12 O5.7 |
| Title of publication | Di-μ<sub>3</sub>-chlorido-1:2:3κ<sup>3</sup> <i>Cl</i>;2:3:4κ<sup>3</sup> <i>Cl</i>-di-μ<sub>2</sub>-chlorido-1:2κ<sup>2</sup> <i>Cl</i>;3:4κ<sup>2</sup> <i>Cl</i>-tetra-kis-[(4-amino-1,5-dimethyl-2-phenyl-2,3-di-hydro-1<i>H</i>-pyrazol-3-one-κ<sup>2</sup> <i>N</i> <sup>4</sup>,<i>O</i>)chlorido-cadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ<sub>6</sub>. |
| Authors of publication | Stoeckli-Evans, Helen; Shankar, M. G.; Kumaravel, R.; Subashini, A.; Sabari Girisun, T.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Crochet, Aurélien |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 5 |
| Pages of publication | 393 - 400 |
| a | 11.0702 ± 0.0002 Å |
| b | 13.5058 ± 0.0002 Å |
| c | 19.07 ± 0.0003 Å |
| α | 90° |
| β | 102.006 ± 0.002° |
| γ | 90° |
| Cell volume | 2788.82 ± 0.08 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299928 (current) | 2025-06-03 | cif/ Updating files of 2023471 Original log message: Adding full bibliography for 2023471.cif. |
2023471.cif |
| 299289 | 2025-04-12 | cif/ Adding structures of 2023471 via cif-deposit CGI script. |
2023471.cif |
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