Information card for entry 4077104

Structure parameters

• Formula: C32.5 H36 Cl2 F6 Ir N O P Sb
• Calculated formula: C32.5 H35 Cl2 F5.94 Ir N O P Sb0.99
• Title of publication: Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§
• Authors of publication: Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5100
• a: 8.8103 ± 0.0018 Å
• b: 15.798 ± 0.003 Å
• c: 13.853 ± 0.003 Å
• α: 90°
• β: 91.39 ± 0.03°
• γ: 90°
• Cell volume: 1927.6 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No