Information card for entry 7005265

Structure parameters

• Formula: C29 H45 Cl F6 Ir N2 O Sb
• Calculated formula: C29 H42 Cl F6 Ir N2 O Sb
• Title of publication: Pentamethylcyclopentadienyl-iridium(iii) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels?Alder reactions
• Authors of publication: Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Fernando J. Lahoz; Isabel T. Dobrinovitch; Luis A. Oro
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1911
• a: 9.6957 ± 0.0006 Å
• b: 14.0751 ± 0.0009 Å
• c: 24.621 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No