Information card for entry 4335354

Structure parameters

• Formula: C33 H44 B Ir N2 P
• Calculated formula: C33 H44 B Ir N2 P
• Title of publication: Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand
• Authors of publication: Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7593 - 7607
• a: 10.856 ± 0.005 Å
• b: 16.608 ± 0.007 Å
• c: 32.292 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5822 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No