Information card for entry 4067392

Structure parameters

• Formula: C71 H96 Cl2 Ir2 P8
• Calculated formula: C71 H88 Cl2 Ir2 P8
• 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: 9.893 ± 0.001 Å
• b: 28.719 ± 0.003 Å
• c: 12.5426 ± 0.0013 Å
• α: 90°
• β: 91.906 ± 0.002°
• γ: 90°
• Cell volume: 3561.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No