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Information card for entry 4084082
Preview
| Coordinates | 4084082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (ruthenocenylmethyl)triphenylphosphonium tetrafluoroborate dichloromethane solvate |
|---|---|
| Formula | C29.5 H27 B Cl F4 P Ru |
| Calculated formula | C29.5 H27 B Cl F4 P Ru |
| Title of publication | The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts |
| Authors of publication | Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 25 |
| Pages of publication | 5351 |
| a | 33.0591 ± 0.0007 Å |
| b | 12.5182 ± 0.0003 Å |
| c | 13.7757 ± 0.0003 Å |
| α | 90° |
| β | 101.591 ± 0.001° |
| γ | 90° |
| Cell volume | 5584.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1121 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084082.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4084082.cif |
| 120813 | 2014-07-26 | cif/ Adding structures of 4084080, 4084081, 4084082 via cif-deposit CGI script. |
4084082.cif |
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Users of the data should acknowledge the original authors of the
structural data.