Information card for entry 7110276

Structure parameters

• Formula: C29 H38 Cl6 F36 Ir2 N3 O13 P6
• Calculated formula: C29 H38 Cl6 F36 Ir2 N3 O13 P6
• Title of publication: Water addition to a two-electron mixed-valence bimetallic center
• Authors of publication: Veige, Adam S.; Nocera, Daniel G.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 17
• Pages of publication: 1958 - 1959
• a: 12.986 ± 0.003 Å
• b: 13.113 ± 0.003 Å
• c: 20.921 ± 0.004 Å
• α: 90.11 ± 0.03°
• β: 94.36 ± 0.03°
• γ: 114.35 ± 0.03°
• Cell volume: 3234.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No