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Information card for entry 4310731
Preview
| Coordinates | 4310731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C67 H43 B Cl2 F24 O3 P2 Ru |
|---|---|
| Calculated formula | C67 H43 B Cl2 F24 O3 P2 Ru |
| Title of publication | X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes |
| Authors of publication | Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 1920 - 1928 |
| a | 12.8389 ± 0.0014 Å |
| b | 18.934 ± 0.002 Å |
| c | 27.128 ± 0.003 Å |
| α | 90° |
| β | 90.614 ± 0.002° |
| γ | 90° |
| Cell volume | 6594.2 ± 1.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.1165 |
| Weighted residual factors for significantly intense reflections | 0.253 |
| Weighted residual factors for all reflections included in the refinement | 0.2559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.367 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4310731.cif |
| 179146 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07. |
4310731.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310731.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310731.cif |
| 2220 | 2010-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4310731 via cif-deposit CGI script. |
4310731.cif |
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Users of the data should acknowledge the original authors of the
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