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Information card for entry 4071496
Preview
Coordinates | 4071496.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 B F10 N2 Rh |
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Calculated formula | C32 H28 B F10 N2 Rh |
SMILES | [Rh]1234567([c]8([cH]1[cH]2[cH]3[cH]48)CCC[B]([n]1cn(cc1)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[CH]1=[CH]5CC[CH]6=[CH]7CC1 |
Title of publication | Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups† |
Authors of publication | Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 2328 |
a | 10.321 ± 0.001 Å |
b | 10.501 ± 0.001 Å |
c | 14.223 ± 0.001 Å |
α | 74.03 ± 0.01° |
β | 74.6 ± 0.01° |
γ | 82.79 ± 0.01° |
Cell volume | 1426.5 ± 0.2 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4071496.html
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Users of the data should acknowledge the original authors of the
structural data.