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Information card for entry 4068646
Preview
Coordinates | 4068646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H33 Cl F N2 O2 Rh S |
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Calculated formula | C30 H33 Cl F N2 O2 Rh S |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(Cl)[NH2][C@H]([C@H](c2ccccc2)N1S(=O)(=O)c1ccc(cc1)F)c1ccccc1)C)C)C)C |
Title of publication | Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation |
Authors of publication | Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 5 |
Pages of publication | 1435 |
a | 7.8845 ± 0.0004 Å |
b | 11.3176 ± 0.0005 Å |
c | 31.7839 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2836.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0267 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections included in the refinement | 0.067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
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/4068646.html
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