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Information card for entry 4086869
Preview
Coordinates | 4086869.cif |
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Original paper (by DOI) | HTML |
Chemical name | n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(9-borabicyclononane)phosphoramidato]rhodium(I) |
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Formula | C28 H46 B N O3 P Rh |
Calculated formula | C28 H46 B N O3 P Rh |
SMILES | [Rh]123([N](=P(O[BH]4C5CCCC4CCC5)(OCC)OCC)c4c(cccc4C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand |
Authors of publication | Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L. |
Journal of publication | Organometallics |
Year of publication | 2016 |
a | 10.3803 ± 0.0019 Å |
b | 10.4864 ± 0.0019 Å |
c | 14.3 ± 0.003 Å |
α | 105.02 ± 0.004° |
β | 104.542 ± 0.003° |
γ | 100.693 ± 0.003° |
Cell volume | 1402 ± 0.5 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 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 | 0.0731 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1425 |
Weighted residual factors for all reflections included in the refinement | 0.1575 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
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/4086869.html
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