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Information card for entry 7041242
Preview
Coordinates | 7041242.cif |
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Original paper (by DOI) | HTML |
Chemical name | Chlorido(η^5^-cyclopentadienyl)(2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazol-1-yl]methyl}-1H-imidazole-κ^2^P,P')ruthenium(II) |
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Formula | C36 H31 Cl N4 P2 Ru |
Calculated formula | C36 H31 Cl N4 P2 Ru |
SMILES | [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6nccn6Cn6ccnc6[P]1(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21 |
Title of publication | Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies. |
Authors of publication | Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 227 - 241 |
a | 11.0252 ± 0.0013 Å |
b | 25.073 ± 0.003 Å |
c | 11.0932 ± 0.0013 Å |
α | 90° |
β | 90.325 ± 0.002° |
γ | 90° |
Cell volume | 3066.5 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0713 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7041242.html
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Users of the data should acknowledge the original authors of the
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