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Information card for entry 4514104
Preview
Coordinates | 4514104.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H47 Cl5 N4 O P2 Ru |
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Calculated formula | C54 H47 Cl5 N4 O P2 Ru |
SMILES | [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cccc3c2[n]1c(/C=N/Nc1ccccc1)cc3)C#[O].ClCCl.ClCCl.[Cl-] |
Title of publication | Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water |
Authors of publication | Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K. |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 4 |
Pages of publication | 2786 |
a | 14.2935 ± 0.0009 Å |
b | 18.4185 ± 0.0011 Å |
c | 22.7313 ± 0.0013 Å |
α | 90° |
β | 108.44 ± 0.004° |
γ | 90° |
Cell volume | 5677.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0965 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for significantly intense reflections | 0.203 |
Weighted residual factors for all reflections included in the refinement | 0.2122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4514104.html
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