Information card for entry 7037081

Structure parameters

• Formula: C84 H51.5 Fe7.5 N6 O39.5
• Calculated formula: C84 H49.5 Fe7.5 N6 O39.5
• Title of publication: Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster.
• Authors of publication: Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4269 - 4273
• a: 41.258 ± 0.003 Å
• b: 41.258 ± 0.003 Å
• c: 41.258 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 70230 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.3441
• Weighted residual factors for all reflections included in the refinement: 0.3774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No