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Information card for entry 4078904
Preview
Coordinates | 4078904.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H22 I3 Ir N6 |
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Calculated formula | C17 H22 I3 Ir N6 |
SMILES | [Ir]1(I)(I)([N]#CC)([N]#CC)c2c(n3c([n+](cc3)C)C1)c[n+](cc2)C.[I-].C(#N)C |
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 | 10.181 ± 0.0006 Å |
b | 11.0855 ± 0.0005 Å |
c | 12.6852 ± 0.0007 Å |
α | 107.112 ± 0.004° |
β | 94.167 ± 0.004° |
γ | 112.461 ± 0.005° |
Cell volume | 1236.42 ± 0.13 Å3 |
Cell temperature | 220 ± 0.1 K |
Ambient diffraction temperature | 220 ± 0.1 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 | 0.0853 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.7107 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/4078904.html
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