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Information card for entry 4514103
Preview
Coordinates | 4514103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H40 Cl N3 O P2 Ru |
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Calculated formula | C50 H40 Cl N3 O P2 Ru |
SMILES | c1ccc2c(n1)[n]1c(cc2)c2[n](cccc2)[RuH]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.[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 | 18.5484 ± 0.0009 Å |
b | 15.0463 ± 0.0007 Å |
c | 16.1704 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4512.9 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
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/4514103.html
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