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Information card for entry 4108252
Preview
Coordinates | 4108252.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H37 N2 O2 Rh |
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Calculated formula | C31 H37 N2 O2 Rh |
SMILES | C12N(C(=O)C(=C([O-])N1[C]1(=C(C=C(C=C1C)C)C)[Rh]134=2[CH]2CC[CH]1=[CH]3CC[CH]4=2)C)c1c(cc(cc1C)C)C |
Title of publication | A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes |
Authors of publication | Vincent César; Noël Lugan; Guy Lavigne |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11286 - 11287 |
a | 10.1885 ± 0.0005 Å |
b | 10.3875 ± 0.0004 Å |
c | 13.9142 ± 0.0006 Å |
α | 71.898 ± 0.002° |
β | 80.947 ± 0.003° |
γ | 76.125 ± 0.002° |
Cell volume | 1353.37 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0874 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
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/4108252.html
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