Information card for entry 4078903

Structure parameters

• Formula: C14 H17 I3 N5 Rh
• 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 ų
• 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