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Information card for entry 4086877
Preview
Coordinates | 4086877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H31 B F15 N O3 P Rh |
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Calculated formula | C38 H31 B F15 N O3 P Rh |
SMILES | [Rh]12345678([cH]9[cH]6[cH]8[c]1(C)[c]3([c]49C)N=P(OCC)(O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)OCC)[CH]1CC[CH]5=[CH]2CC[CH]7=1 |
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 | 10.307 ± 0.003 Å |
b | 16.551 ± 0.004 Å |
c | 22.006 ± 0.005 Å |
α | 90° |
β | 94.23 ± 0.005° |
γ | 90° |
Cell volume | 3743.8 ± 1.7 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0878 |
Residual factor for significantly intense reflections | 0.0722 |
Weighted residual factors for significantly intense reflections | 0.1892 |
Weighted residual factors for all reflections included in the refinement | 0.2061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
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/4086877.html
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Users of the data should acknowledge the original authors of the
structural data.