Information card for entry 4346064

Structure parameters

• Formula: C36 H24 Fe N10
• Calculated formula: C36 H24 Fe N10
• 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: 8.834 ± 0.003 Å
• b: 8.763 ± 0.003 Å
• c: 19.635 ± 0.005 Å
• α: 90°
• β: 98.124 ± 0.006°
• γ: 90°
• Cell volume: 1504.7 ± 0.8 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.1105
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No