Information card for entry 1576157

Structure parameters

• Formula: C24 H27 Cl3 Ir N3 O
• Calculated formula: C24 H27 Cl3 Ir N3 O
• Title of publication: The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4
• Authors of publication: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 16.5538 ± 0.0014 Å
• b: 8.328 ± 0.0006 Å
• c: 36.149 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4983.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No