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Information card for entry 7702641
Preview
| Coordinates | 7702641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H38 Cl N6 O2 P2 Re |
|---|---|
| Calculated formula | C46 H38 Cl N6 O2 P2 Re |
| Title of publication | Complexes of phosphine–phenolate ligands with the [Reî€O]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores |
| Authors of publication | Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 20 |
| Pages of publication | 3015 |
| a | 14.944 ± 0.0008 Å |
| b | 16.1173 ± 0.0007 Å |
| c | 19.0034 ± 0.0014 Å |
| α | 81.996 ± 0.002° |
| β | 77.802 ± 0.002° |
| γ | 78.955 ± 0.002° |
| Cell volume | 4367.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702641.cif |
| 243932 | 2019-11-28 | cif/ Adding structures of 7702639, 7702640, 7702641, 7702642 via cif-deposit CGI script. |
7702641.cif |
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Users of the data should acknowledge the original authors of the
structural data.