Information card for entry 7102406

Structure parameters

• Formula: C57 H77 Fe4 N15 O37
• Calculated formula: C57 H57 Fe4 N15 O37.01
• Title of publication: A three dimensional porous metal-organic framework [Fe4L6.(DMF)3.(H2O)10] constructed from neutral discrete Fe4L6 pyramids [H2L = 1,3-benzodihydroxamix acid].
• Authors of publication: Bai, Yan; Guo, Dong; Duan, Chun-Ying; Dang, Dong-Bin; Pang, Ke-Liang; Meng, Qing-Jin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 186 - 187
• a: 27.6415 ± 0.0017 Å
• b: 27.6415 ± 0.0017 Å
• c: 27.6415 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21120 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.2415
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No