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Information card for entry 4086874
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Coordinates | 4086874.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | n4-norbornadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(1,1-dicyclohexylborane)phosphoramidato]rhodium(I) |
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Formula | C31 H50 B N O3 P Rh |
Calculated formula | C31 H50 B N O3 P Rh |
SMILES | [Rh]123([N](=P(O[BH](C4CCCCC4)C4CCCCC4)(OCC)OCC)c4c(cccc4C)C)[CH]4=[CH]1C1CC4[CH]2=[CH]31 |
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 | 10.464 ± 0.002 Å |
b | 15.892 ± 0.004 Å |
c | 18.545 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3083.9 ± 1.2 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 7 |
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 | 0.0794 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/4086874.html
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structural data.