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Information card for entry 4073235
Preview
Coordinates | 4073235.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H32 Cl N2 Rh |
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Calculated formula | C25 H32 Cl N2 Rh |
SMILES | [Rh]123(Cl)(=C4N(C(C)C)c5cccc6c5c(N4C(C)C)ccc6)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold |
Authors of publication | Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 11 |
Pages of publication | 2885 |
a | 10.241 ± 0.002 Å |
b | 16.129 ± 0.003 Å |
c | 14.067 ± 0.003 Å |
α | 90° |
β | 104.722 ± 0.004° |
γ | 90° |
Cell volume | 2247.3 ± 0.8 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0922 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1916 |
Weighted residual factors for all reflections included in the refinement | 0.2037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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