Information card for entry 7112201

Structure parameters

• Formula: C38 H28 Fe N10 O0
• Calculated formula: C38 H28 Fe N10
• Title of publication: A chiral spin crossover metal-organic framework
• Authors of publication: Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4059
• a: 10.8557 ± 0.0007 Å
• b: 10.8557 ± 0.0007 Å
• c: 25.463 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2598.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 151
• Hermann-Mauguin space group symbol: P 31 1 2
• Hall space group symbol: P 31 2 (0 0 4)
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No