Information card for entry 4321413

Structure parameters

• Formula: C64 H64 Cl4 F3 Ir2 N8 O10
• Calculated formula: C64 H60 Cl4 F3 Ir2 N8 O10
• Title of publication: A Reliable Method of Preparation of Diiridium Paddlewheel Complexes: Structures of the First Compounds with Ir25+ Cores
• Authors of publication: F. Albert Cotton; Chun Lin; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4574 - 4578
• a: 23.225 ± 0.002 Å
• b: 24.799 ± 0.007 Å
• c: 22.912 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13196 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.0923
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No