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Information card for entry 7043692
Preview
| Coordinates | 7043692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H16 B N6 Re |
|---|---|
| Calculated formula | C15 H16 B N6 Re |
| SMILES | [BH]12n3[n](ccc3)[Re]34567([cH]8[cH]3[cH]4[cH]5[cH]7[cH]68)([n]3cccn13)[n]1cccn21 |
| Title of publication | Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+ |
| Authors of publication | Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 8.2517 ± 0.0004 Å |
| b | 10.2422 ± 0.0006 Å |
| c | 8.9263 ± 0.0005 Å |
| α | 90° |
| β | 92.507 ± 0.005° |
| γ | 90° |
| Cell volume | 753.69 ± 0.07 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7043692.cif |
| 198800 | 2017-07-19 | cif/ Adding structures of 7043687, 7043688, 7043689, 7043690, 7043691, 7043692, 7043693, 7043694, 7043695, 7043696 via cif-deposit CGI script. |
7043692.cif |
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Users of the data should acknowledge the original authors of the
structural data.