Information card for entry 4330326

Structure parameters

• Formula: C45.5 H44 Cl5 Ir N2 O2 P2
• Calculated formula: C45.5 H44 Cl5 Ir N2 O2 P2
• Title of publication: Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide
• Authors of publication: Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9683 - 9693
• a: 13.269 ± 0.009 Å
• b: 13.481 ± 0.008 Å
• c: 14.591 ± 0.011 Å
• α: 66.345 ± 0.02°
• β: 71.92 ± 0.02°
• γ: 78.945 ± 0.019°
• Cell volume: 2266 ± 3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No