Information card for entry 4084954

Structure parameters

• Formula: C25 H40 Ir P
• Calculated formula: C25 H40 Ir P
• SMILES: [Ir]12345([P](c6c(cccc6C)C5)(C(C)C)C(C)C)([c]5([c]4([c]3([c]2([c]15C)C)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: 8.2676 ± 0.0003 Å
• b: 9.1408 ± 0.0003 Å
• c: 30.4909 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2304.27 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No