Information card for entry 4330323

Structure parameters

• Formula: C41 H36 Ir N O P2
• Calculated formula: C41 H36 Ir N O P2
• SMILES: [IrH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)Oc2[n]1cccc2
• 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: 9.111 ± 0.004 Å
• b: 11.977 ± 0.006 Å
• c: 16.669 ± 0.007 Å
• α: 70.48 ± 0.011°
• β: 81.58 ± 0.01°
• γ: 73.712 ± 0.013°
• Cell volume: 1642.8 ± 1.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No