Information card for entry 4346062

Structure parameters

• Formula: C32 H22 Fe N12
• Calculated formula: C32 H22 Fe N12
• Title of publication: High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.
• Authors of publication: Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 3006 - 3011
• a: 8.3756 ± 0.0016 Å
• b: 16.567 ± 0.003 Å
• c: 11.265 ± 0.002 Å
• α: 90°
• β: 98.606 ± 0.003°
• γ: 90°
• Cell volume: 1545.5 ± 0.5 ų
• Cell temperature: 443 ± 2 K
• Ambient diffraction temperature: 443 ± 2 K
• Number of distinct elements: 4
• 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: 0.08
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No