Information card for entry 4112837

Structure parameters

• Common name: none
• Formula: C33 H42 Cl2 F36 Ir2 N6 O12 P6
• Calculated formula: C33 H42 Cl2 F36 Ir2 N6 O12 P6
• Title of publication: Cooperative Bimetallic Reactivity: Hydrogen Activation in Two-Electron Mixed-Valence Compounds
• Authors of publication: Thomas G. Gray; Adam S. Veige; Daniel G. Nocera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9760 - 9768
• a: 12.3635 ± 0.0015 Å
• b: 23.491 ± 0.003 Å
• c: 23.867 ± 0.003 Å
• α: 90°
• β: 99.908 ± 0.002°
• γ: 90°
• Cell volume: 6828.3 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No