Information card for entry 2214422

Structure parameters

• Chemical name: Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]
• Formula: C17 H15 Fe N3 O6
• Calculated formula: C17 H15 Fe N3 O6
• Title of publication: Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]
• Authors of publication: Hao, Lu-Jiang; Yu, Tong-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1926 - m1926
• a: 15.7231 ± 0.0013 Å
• b: 12.63 ± 0.002 Å
• c: 16.522 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3281 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes