Information card for entry 7702870

Structure parameters

• Formula: C65 H84 Fe2 N13 O19.5
• Calculated formula: C65 H84 Fe2 N13 O19.5
• Title of publication: A three-dimensional porous metal‒organic framework [Fe2L3·(DMF)7·(C4H10O)0.5] constructed from triple-helices {L = bis[2,4-dihydroxybenzaldehyde]hydrazone}
• Authors of publication: Hong, Mo; Dong, Guo; Chun-ying, Duan; Yu-ting, Li; Qing-jin, Meng
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3422
• a: 23.682 ± 0.003 Å
• b: 23.465 ± 0.003 Å
• c: 14.912 ± 0.002 Å
• α: 90°
• β: 112.501 ± 0.002°
• γ: 90°
• Cell volume: 7655.7 ± 1.7 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: 0.1698
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No