Information card for entry 7103390

Structure parameters

• Formula: C60.5 H56 Cl Ir P4
• Calculated formula: C60.5 H55.5 Cl Ir P4
• Title of publication: A C-H activation-CO(2)-carboxylation reaction sequence mediated by an 'Iridium(dppm)' species. Formation of the anionic ligand (Ph(2)P)(2)C-COOH.
• Authors of publication: Langer, Jens; Fabra, María José; García-Orduña, Pilar; Lahoz, Fernando J; Oro, Luis A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4822 - 4824
• a: 10.6704 ± 0.0007 Å
• b: 11.7099 ± 0.0008 Å
• c: 20.3601 ± 0.0014 Å
• α: 85.152 ± 0.001°
• β: 76.129 ± 0.001°
• γ: 88.756 ± 0.001°
• Cell volume: 2461 ± 0.3 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: 0.0366
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No