Information card for entry 4067393

Structure parameters

• Formula: C26 H33 Cl Ir O4 P3
• Calculated formula: C26 H33 Cl Ir O4 P3
• SMILES: [Ir]1(Cl)([P](C)(C)c2ccccc2)([P](C)(C)c2ccccc2)([P](C)(C)c2ccccc2)OC(=O)OC1=O
• 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: 9.8246 ± 0.0004 Å
• b: 12.7951 ± 0.0004 Å
• c: 22.0739 ± 0.0009 Å
• α: 90°
• β: 96.089 ± 0.002°
• γ: 90°
• Cell volume: 2759.18 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No