Information card for entry 8107277

Structure parameters

• Formula: C13 H14 Fe N4 O10
• Calculated formula: C13 H14 Fe N4 O10
• Title of publication: Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10
• Authors of publication: Zhang, Ya-Ping; Pu, Lu-Yu; Sun, De-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1005 - 1007
• a: 13.2154 ± 0.0004 Å
• b: 16.9075 ± 0.0006 Å
• c: 13.9347 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3113.56 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No