Information card for entry 1576159

Structure parameters

• Formula: C25 H33 Cl Co N3 S
• Calculated formula: C25 H33 Cl Co N3 S
• 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: 10.7384 ± 0.0005 Å
• b: 12.7561 ± 0.0005 Å
• c: 18.1854 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.04 ± 0.19 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No