Information card for entry 4067391

Structure parameters

• Formula: C24 H33 Cl Ir P3
• Calculated formula: C24 H33 Cl Ir P3
• SMILES: [Ir]([P](C)(c1ccccc1)C)([P](C)(C)c1ccccc1)([P](c1ccccc1)(C)C)Cl
• Title of publication: Reversible CO2Fixation by Iridium(I) Complexes Containing Me2PhP as Ligand
• Authors of publication: Langer, Jens; Imhof, Wolfgang; Fabra, Maria José; García-Orduña, Pilar; Görls, Helmar; Lahoz, Fernando J.; Oro, Luis A.; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1642
• a: 9.8452 ± 0.0008 Å
• b: 11.7899 ± 0.001 Å
• c: 12.8026 ± 0.0011 Å
• α: 63.724 ± 0.001°
• β: 83.542 ± 0.001°
• γ: 66.008 ± 0.001°
• Cell volume: 1213.23 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No