Information card for entry 7005266

Structure parameters

• Formula: C24 H35 F12 Ir N2 O2 Sb2
• Calculated formula: C24 H35 F12 Ir N2 O2 Sb2
• SMILES: [Ir]12345([n]6ccccc6C[NH]1[C@H](C)c1ccccc1)([OH2])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)(F)(F)[F-].O
• 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: 9.6645 ± 0.0008 Å
• b: 9.7425 ± 0.0008 Å
• c: 10.1365 ± 0.0008 Å
• α: 65.4 ± 0.001°
• β: 68.462 ± 0.001°
• γ: 72.742 ± 0.001°
• Cell volume: 795.43 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No