Information card for entry 1576167

Structure parameters

• Formula: C15 H15 N O3 S
• Calculated formula: C15 H15 N O3 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: 8.0536 ± 0.0002 Å
• b: 5.2646 ± 0.0001 Å
• c: 16.5289 ± 0.0003 Å
• α: 90°
• β: 94.986 ± 0.002°
• γ: 90°
• Cell volume: 698.16 ± 0.03 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No