Information card for entry 4077099

Structure parameters

• Formula: C33 H37.5 B Cl F4 N O1.25 P Rh
• Calculated formula: C32 H35 B Cl F4 N O P Rh
• SMILES: [B](F)(F)(F)[F-].[Rh]12345([P](c6c(cccc6)C6=[N]5[C@H](CO6)C)(c5ccccc5)c5ccccc5)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 10.992 ± 0.002 Å
• b: 14.157 ± 0.003 Å
• c: 22.863 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3557.8 ± 1.2 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: 0.1151
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No