Information card for entry 4084946

Structure parameters

• Formula: C20 H29 Cl Ir P
• Calculated formula: C20 H29 Cl Ir P
• SMILES: [Ir]12345([P](c6c(cccc6C)C5)(C)C)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes
• Authors of publication: Campos, Jesús; Carmona, Ernesto
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2212
• a: 8.6116 ± 0.0002 Å
• b: 14.9595 ± 0.0004 Å
• c: 17.305 ± 0.0007 Å
• α: 113.275 ± 0.002°
• β: 101.941 ± 0.002°
• γ: 94.921 ± 0.001°
• Cell volume: 1968.46 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0227
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No