Information card for entry 7708068

Structure parameters

• Formula: C35 H32 Cl Ir N2 O
• Calculated formula: C35 H32 Cl Ir N2 O
• Title of publication: Five-Coordinate Iridium(III) Complex with ΔΛ Chirality
• Authors of publication: Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 26.0164 ± 0.0006 Å
• b: 26.0164 ± 0.0006 Å
• c: 23.1213 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13553.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No