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Information card for entry 4068397
Preview
Coordinates | 4068397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H39 B Cl2 N6 P2 Ru |
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Calculated formula | C45 H39 B Cl2 N6 P2 Ru |
SMILES | [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(ccc3)[B](Cl)(n3[n]1ccc3)n1[n]2ccc1 |
Title of publication | Chlorination of Boron on a Ruthenium-Coordinated Hydridotris(pyrazolyl)borate (Tp) Ligand: A Caveat for the Use of TpRu(PPh3)2Cl |
Authors of publication | Foley, Nicholas A.; Abernethy, Robyn J.; Gunnoe, T. Brent; Hill, Anthony F.; Boyle, Paul D.; Sabat, Michal |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 374 |
a | 10.2969 ± 0.0001 Å |
b | 23.6386 ± 0.0002 Å |
c | 16.8964 ± 0.0001 Å |
α | 90° |
β | 90.705 ± 0.001° |
γ | 90° |
Cell volume | 4112.35 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0739 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4068397.html
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