Information card for entry 7215391

Structure parameters

• Formula: C41 H40 Fe5 N3 O24
• Calculated formula: C41 H40 Fe5 N3 O24
• Title of publication: An Fe-based MOF constructed from paddle-wheel and rod-shaped SBUs involved in situ generated acetate
• Authors of publication: Li, Yun-Wu; Zhao, Jiong-Peng; Wang, Li-Fu; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6002
• a: 33.747 ± 0.007 Å
• b: 12.808 ± 0.003 Å
• c: 14.155 ± 0.003 Å
• α: 90°
• β: 102.27 ± 0.03°
• γ: 90°
• Cell volume: 5978 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No