Information card for entry 4077102

Structure parameters

• Formula: C34 H39 B Cl F4 Ir N O P
• Calculated formula: C34 H39 B Cl F4 Ir N O P
• 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: 11.7815 ± 0.0007 Å
• b: 16.1335 ± 0.001 Å
• c: 17.2609 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3280.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No