Information card for entry 4330321

Structure parameters

• Formula: C41 H39 Ir N2 P2
• Calculated formula: C41 H39 Ir N2 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: 11.5834 ± 0.0016 Å
• b: 12.2221 ± 0.0016 Å
• c: 13.2838 ± 0.0018 Å
• α: 90.472 ± 0.006°
• β: 106.509 ± 0.007°
• γ: 102.999 ± 0.007°
• Cell volume: 1751.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No