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Information card for entry 4084706
Preview
Coordinates | 4084706.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (POCOP)Rh(C6H4F)(NHPh) |
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Formula | C30 H41 F N O2 P2 Rh |
Calculated formula | C30 H41 F N O2 P2 Rh |
SMILES | [Rh]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)(Nc1ccccc1)c1ccc(F)cc1 |
Title of publication | Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis |
Authors of publication | Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5254 |
a | 14.6106 ± 0.0015 Å |
b | 16.329 ± 0.0016 Å |
c | 25.127 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5994.7 ± 1.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4084706.html
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