Information card for entry 4347725

Structure parameters

• Formula: C63 H50 Cl6 F12 Ir2 N12 P2
• Calculated formula: C63 H49.25 Cl6 F12 Ir2 N12 P2
• Title of publication: Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.
• Authors of publication: Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6018 - 6026
• a: 23.7369 ± 0.0004 Å
• b: 14.0057 ± 0.0002 Å
• c: 20.0866 ± 0.0003 Å
• α: 90°
• β: 97.851 ± 0.002°
• γ: 90°
• Cell volume: 6615.23 ± 0.18 ų
• Cell temperature: 156 ± 3 K
• Ambient diffraction temperature: 156 ± 3 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No