Information card for entry 8103119

Structure parameters

• Chemical name: [[Aqua(1H-imidazol) (μ~3~-5-isonicotinamidoisophthalato-κ^2^O^1^,O^3^-κ^1^N^1^) iron(II)]monohydrate]
• Formula: C17 H16 Fe N4 O7
• Calculated formula: C17 H16 Fe N4 O7
• Title of publication: Crystal structure of aqua(1H-imidazol)-(μ3-5-isonicotinamidoisophthalato-κ2O1,O3-κ1N1)iron(II) monohydrate, Fe(H2O)(C3H4N2)(C14H8N2O5) · H2O
• Authors of publication: Man-Sheng Chen; Yi-Fang Deng; Dai-Zhi Kuang; Chun-Hua Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 25
• a: 7.696 ± 0.005 Å
• b: 17.961 ± 0.012 Å
• c: 12.778 ± 0.009 Å
• α: 90°
• β: 102.001 ± 0.002°
• γ: 90°
• Cell volume: 1728 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No