Information card for entry 4084951

Structure parameters

• Formula: C64 H48 B F24 Ir N P
• Calculated formula: C64 H48 B F24 Ir N P
• 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: 17.6209 ± 0.0006 Å
• b: 18.8941 ± 0.0006 Å
• c: 36.6859 ± 0.0011 Å
• α: 90°
• β: 90.0072 ± 0.0016°
• γ: 90°
• Cell volume: 12213.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No