Information card for entry 7012275

Structure parameters

• Formula: C6 H6 Fe O8
• Calculated formula: C6 H Fe O8
• Title of publication: Hydrothermal synthesis and characterization of the first oxalate‒bta mixed-ligand three-dimensional frameworks: {[M2(µ8-bta)(µ2-C2O4)]·(H3O)2(H2O)2}n (M = CoII, FeII; bta = benzene-1,2,4,5-tetracarboxylate)
• Authors of publication: Zhang, Li-Juan; Xu, Ji-Qing; Shi, Zhan; Xu, Wei; Wang, Tie-Gang
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1148
• a: 9.3825 ± 0.0019 Å
• b: 13.791 ± 0.003 Å
• c: 6.7346 ± 0.0013 Å
• α: 90°
• β: 122.37 ± 0.03°
• γ: 90°
• Cell volume: 736 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No