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Information card for entry 7021936
Preview
| Coordinates | 7021936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H31 Br N3 O5.5 P Re |
|---|---|
| Calculated formula | C24 H31 Br N3 O5.5 P Re |
| Title of publication | The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes. |
| Authors of publication | Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 39 |
| Pages of publication | 14100 - 14114 |
| a | 16.3806 ± 0.0005 Å |
| b | 12.9573 ± 0.001 Å |
| c | 12.8904 ± 0.001 Å |
| α | 90° |
| β | 100.172 ± 0.004° |
| γ | 90° |
| Cell volume | 2693 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021936.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7021936.cif |
| 88882 | 2013-10-09 | cif/ Adding structures of 7021931, 7021932, 7021933, 7021934, 7021935, 7021936, 7021937 via cif-deposit CGI script. |
7021936.cif |
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Users of the data should acknowledge the original authors of the
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