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Information card for entry 4335058
Preview
| Coordinates | 4335058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H38 Cl2 Cu N6 O14 S2 |
|---|---|
| Calculated formula | C29 H38 Cl2 Cu N6 O14 S2 |
| Title of publication | Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups |
| Authors of publication | Peter Comba; Michael Morgen; Hubert Wadepohl |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6481 - 6501 |
| a | 11.5947 ± 0.0005 Å |
| b | 13.473 ± 0.0006 Å |
| c | 13.9099 ± 0.0005 Å |
| α | 65.62 ± 0.004° |
| β | 79.171 ± 0.004° |
| γ | 65.285 ± 0.004° |
| Cell volume | 1797.57 ± 0.15 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4335058.cif |
| 179453 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50. |
4335058.cif |
| 100962 | 2014-02-10 | cif/ Adding structures of 4335058 via cif-deposit CGI script. |
4335058.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.