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Information card for entry 1518085
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| Coordinates | 1518085.cif |
|---|
| Formula | C52 H56 Br4 Mo2 P4 |
|---|---|
| Calculated formula | C52 Br4 Mo2 P4 |
| SMILES | [Mo]12([Mo](Br)(Br)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Br)Br |
| Title of publication | The crystal and molecular structure of beta-Mo2Br4 (bis(diphenylphosphino)ethane)2 |
| Authors of publication | Agaskar, Pradyot A.; Cotton, F. Albert |
| Journal of publication | Revue de Chimie Minerale |
| Year of publication | 1985 |
| Journal volume | 22 |
| Pages of publication | 302 - 311 |
| a | 23.349 ± 0.045 Å |
| b | 13.296 ± 0.075 Å |
| c | 16.91 ± 0.062 Å |
| α | 90° |
| β | 106.8 ± 0.1° |
| γ | 90° |
| Cell volume | 5026 ± 4 Å3 |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518085.cif |
| 125668 | 2014-10-22 | cif/ Adding structures of 1518085 via cif-deposit CGI script. |
1518085.cif |
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Users of the data should acknowledge the original authors of the
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