Information card for entry 4105093

Structure parameters

• Formula: C19 H38 Ir N P2
• Calculated formula: C19 H38 Ir N P2
• SMILES: [n]12[IrH3]3[P](Cc1cccc2C[P]3(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)-Pincer Complexes
• Authors of publication: Ryo Tanaka; Makoto Yamashita; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14168 - 14169
• a: 19.698 ± 0.011 Å
• b: 9.579 ± 0.005 Å
• c: 11.98 ± 0.007 Å
• α: 90 ± 0.002°
• β: 102.414 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 2208 ± 2 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No