Information card for entry 7708067

Structure parameters

• Formula: C38 H44 Cl Ir N2 O2
• Calculated formula: C38 H44 Cl Ir N2 O2
• 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: 9.3674 ± 0.0004 Å
• b: 11.2876 ± 0.0005 Å
• c: 17.3082 ± 0.0006 Å
• α: 99.175 ± 0.003°
• β: 100.384 ± 0.003°
• γ: 113.623 ± 0.004°
• Cell volume: 1593.84 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No