Information card for entry 7116649

Structure parameters

• Formula: C72 H76 Br2 Ir2 N4
• Calculated formula: C72 H76 Br2 Ir2 N4
• Title of publication: Asymmetric hydrogenation of quinazolinium salts catalysed by halide-bridged dinuclear iridium complexes bearing chiral diphosphine ligands
• Authors of publication: Yusuke Kita; Kosuke Higashida; Kenta Yamaji; Atsuhiro Iimuro; Kazushi Mashima
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4380
• a: 14.4388 ± 0.0005 Å
• b: 14.3302 ± 0.0005 Å
• c: 14.9599 ± 0.0005 Å
• α: 90°
• β: 94.1029 ± 0.001°
• γ: 90°
• Cell volume: 3087.43 ± 0.18 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No