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Information card for entry 4331526
Preview
Coordinates | 4331526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38.5 N4.5 O2 P2 Rh S |
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Calculated formula | C45 H38.5 N4.5 O2 P2 Rh S |
SMILES | [RhH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(N(=O)=O)ccc3C=[N]1N=C(N)S2.N#CC |
Title of publication | Rhodium Assisted C−H Activation of Benzaldehyde Thiosemicarbazones and Their Oxidation via Activation of Molecular Oxygen |
Authors of publication | Acharyya, Rama; Dutta, Swati; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Falvello, Larry R.; Bhattacharya, Samaresh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 3 |
Pages of publication | 1252 - 1259 |
a | 13.611 ± 0.002 Å |
b | 16.166 ± 0.003 Å |
c | 19.4501 ± 0.0018 Å |
α | 94.918 ± 0.011° |
β | 101.705 ± 0.009° |
γ | 101.074 ± 0.018° |
Cell volume | 4077.9 ± 1.1 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1058 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4331526.html
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