Information card for entry 1576169

Structure parameters

• Formula: C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4
• Calculated formula: C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4
• 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: 17.3643 ± 0.0002 Å
• b: 21.3942 ± 0.0002 Å
• c: 15.459 ± 0.0002 Å
• α: 90°
• β: 93.77 ± 0.001°
• γ: 90°
• Cell volume: 5730.52 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No