Information card for entry 4080331

Structure parameters

• Formula: C58 H57 Cl F6 Ir N O3 P3 Sb
• Calculated formula: C58 H50 Cl F6 Ir N O3 P3 Sb
• Title of publication: Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes
• Authors of publication: Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1595
• a: 11.7636 ± 0.0009 Å
• b: 20.7067 ± 0.0016 Å
• c: 22.6749 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5523.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No