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Information card for entry 7702640
Preview
| Coordinates | 7702640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H41 N2 O5 P2 Re |
|---|---|
| Calculated formula | C44 H41 N2 O5 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 | 9.5519 ± 0.0003 Å |
| b | 18.9971 ± 0.0006 Å |
| c | 21.8244 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3960.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.618 |
| 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. |
7702640.cif |
| 243932 | 2019-11-28 | cif/ Adding structures of 7702639, 7702640, 7702641, 7702642 via cif-deposit CGI script. |
7702640.cif |
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Users of the data should acknowledge the original authors of the
structural data.