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Information card for entry 4313774
Preview
Coordinates | 4313774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H57 B2 F12 N3 O2 P Rh |
---|---|
Calculated formula | C45 H57 B2 F12 N3 O2 P Rh |
SMILES | [Rh]1234([P](c5ccccc5[C@H]([N]1(C)C)C)(c1ccccc1[C@H](N(C)C)C)c1ccccc1[C@H]([NH+](C)C)C)[CH]1C5c6c(F)c(F)c(F)c(F)c6C([CH]2=1)[CH]3=[CH]45.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O |
Title of publication | Conformational Preferences Driven by the C-Methyl Substituent in Chelated o-Diphenylphosphino-α-methyl-N,N-dimethylbenzylamine Rhodium Complexes |
Authors of publication | M. Aránzazu Alonso; Juan A. Casares; Pablo Espinet; Katerina Soulantica; A. Guy Orpen; Hirihattaya Phetmung |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3856 - 3864 |
a | 12.0548 ± 0.0011 Å |
b | 16.139 ± 0.002 Å |
c | 12.1804 ± 0.001 Å |
α | 90° |
β | 100.742 ± 0.009° |
γ | 90° |
Cell volume | 2328.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for all reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Goodness-of-fit parameter for all reflections | 1.001 |
Goodness-of-fit parameter for significantly intense reflections | 1.033 |
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/4313774.html
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