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Information card for entry 4081041
Preview
Coordinates | 4081041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H28 Cl2 O P2 Ru |
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Calculated formula | C15 H28 Cl2 O P2 Ru |
SMILES | [Ru]12345(Cl)(Cl)([P](CP(=O)(C)C)(C)C)[cH]6[cH]1[c]2([cH]3[cH]4[c]56C)C(C)C |
Title of publication | Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R′)] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands |
Authors of publication | Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3744 |
a | 6.47519 ± 0.00014 Å |
b | 32.4129 ± 0.0006 Å |
c | 9.884 ± 0.0003 Å |
α | 90° |
β | 107.006 ± 0.003° |
γ | 90° |
Cell volume | 1983.74 ± 0.09 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0295 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for all reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.0667 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0103 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/4081041.html
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Users of the data should acknowledge the original authors of the
structural data.