Information card for entry 7121406

Structure parameters

• Formula: C30 H28 Cl Ir N3 P
• Calculated formula: C30 H28 Cl Ir N3 P
• Title of publication: Hydrogenation of an iridium-coordinated imidazol-2-ylidene ligand fragment.
• Authors of publication: Hernández-Juárez, M; López-Serrano, J; González-Herrero, P; Rendón, N; Álvarez, E; Paneque, M.; Suárez, A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 3843 - 3846
• a: 10.1852 ± 0.0002 Å
• b: 17.4738 ± 0.0003 Å
• c: 14.3619 ± 0.0003 Å
• α: 90°
• β: 95.538 ± 0.001°
• γ: 90°
• Cell volume: 2544.12 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0159
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No