Information card for entry 4301609

Structure parameters

• Chemical name: C6H10N3O,FeC3O6
• Formula: C18 H20 Fe2 N6 O14
• Calculated formula: C18 H20 Fe2 N6 O14
• Title of publication: Two Homometallic Antiferromagnets Based on Oxalato-Bridged Honeycomb Assemblies: (A)2[MII2(C2O4)3] (A = Ammonium Salt Derived from Diethylenetriamine; MII= Fe2+, Co2+)
• Authors of publication: Zhiming Duan; Yan Zhang; Bin Zhang; Francis L. Pratt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2140 - 2146
• a: 17.2224 ± 0.0004 Å
• b: 9.3151 ± 0.0002 Å
• c: 15.1518 ± 0.0004 Å
• α: 90°
• β: 95.767 ± 0.001°
• γ: 90°
• Cell volume: 2418.48 ± 0.1 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: 0.0694
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No