Information card for entry 4067394

Structure parameters

• Formula: C33.5 H48 I2 Ir O0.5 P4
• Calculated formula: C32 H9.808 I2 Ir P4
• 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: 11.8106 ± 0.0016 Å
• b: 17.318 ± 0.002 Å
• c: 18.393 ± 0.002 Å
• α: 90°
• β: 92.198 ± 0.003°
• γ: 90°
• Cell volume: 3759.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No