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Information card for entry 4078903
Preview
Coordinates | 4078903.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H17 I3 N5 Rh |
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Calculated formula | C14 H17 I3 N5 Rh |
SMILES | [Rh]1(I)(I)([N]#CC)(c2c(N3C=1N(C=C3)C)cc[n+](c2)C)[N]#CC.[I-] |
Title of publication | Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes |
Authors of publication | Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 14 |
Pages of publication | 5169 |
a | 11.3673 ± 0.0004 Å |
b | 24.5851 ± 0.0007 Å |
c | 7.6286 ± 0.0003 Å |
α | 90° |
β | 100.612 ± 0.003° |
γ | 90° |
Cell volume | 2095.47 ± 0.13 Å3 |
Cell temperature | 199.95 ± 0.1 K |
Ambient diffraction temperature | 199.95 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0636 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.7107 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/4078903.html
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