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Information card for entry 2208898
Preview
Coordinates | 2208898.cif |
---|---|
Structure factors | 2208898.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Chloro-μ-diphenylphosphido-μ-hydrido- bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate |
---|---|
Formula | C36 H47 B Cl F4 P Ru2 |
Calculated formula | C36 H47 B Cl F4 P Ru2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)[Ru]2345678([c]9([c]2([c]3([c]4([c]5(C69C)C)C)C)C)C)[Cl][Ru]2345618([c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C)[H]7.[B](F)(F)(F)[F-] |
Title of publication | μ-Chloro-μ-diphenylphosphido-μ-hydrido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrafluoroborate |
Authors of publication | Tschan, Mathieu Jean-Luc; Therrien, Bruno; Süss-Fink, Georg |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 5 |
Pages of publication | m954 - m956 |
a | 13.5299 ± 0.0008 Å |
b | 12.8959 ± 0.0012 Å |
c | 20.6136 ± 0.0013 Å |
α | 90° |
β | 104.778 ± 0.007° |
γ | 90° |
Cell volume | 3477.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0542 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2208898.html
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Users of the data should acknowledge the original authors of the
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