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Information card for entry 7000780
Preview
| Coordinates | 7000780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43.5 H44 Cl3 P Ru |
|---|---|
| Calculated formula | C43.5 H44 Cl3 P Ru |
| Title of publication | Coordination chemistry of 2,6-dixylyl-4-phenylphosphabarrelene with selected transition metals |
| Authors of publication | Wallis, Christopher; Edwards, Peter G.; Hanton, Martin; Newman, Paul D.; Stasch, Andreas; Jones, Cameron; Tooze, Robert P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 12 |
| Pages of publication | 2170 - 2177 |
| a | 10.238 ± 0.002 Å |
| b | 13.693 ± 0.003 Å |
| c | 16.451 ± 0.003 Å |
| α | 107.2 ± 0.03° |
| β | 103.59 ± 0.03° |
| γ | 106.38 ± 0.03° |
| Cell volume | 1982.1 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7000780.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7000780.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000780.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000780.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000780.cif |
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