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Information card for entry 7038583
Preview
Coordinates | 7038583.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H37 Cl2 O P Ru |
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Calculated formula | C22 H37 Cl2 O P Ru |
SMILES | [cH]12[c]3([cH]4[cH]5[c]6([cH]1[Ru]23456([P](C1CCCCC1)(C1CCCCC1)O)(Cl)Cl)C(C)C)C |
Title of publication | [RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations. |
Authors of publication | Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6491 - 6502 |
a | 10.6622 ± 0.0002 Å |
b | 17.9372 ± 0.0004 Å |
c | 19.9486 ± 0.0003 Å |
α | 94.962 ± 0.001° |
β | 103.272 ± 0.001° |
γ | 98.0424 ± 0.0007° |
Cell volume | 3648.8 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038583.html
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