Information card for entry 7002104

Structure parameters

• Formula: C110 H102 Cl2 F12 Ir2 N4 O3 P6
• Calculated formula: C110 H102 Cl2 F12 Ir2 N4 O3 P6
• Title of publication: Coordination chemistry and catalytic activity of N-heterocyclic carbene iridium(i) complexes
• Authors of publication: Fu, Ching-Feng; Chang, Yung-Hung; Liu, Yi-Hong; Peng, Shei-Ming; Elsevier, Cornelis J.; Chen, Jwu-Ting; Liu, Shiuh-Tzung
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6991
• a: 21.7662 ± 0.0003 Å
• b: 19.3288 ± 0.0003 Å
• c: 27.66 ± 0.0004 Å
• α: 90°
• β: 109.458 ± 0.002°
• γ: 90°
• Cell volume: 10972.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No