Information card for entry 8103350

Structure parameters

• Formula: C14 H16 Fe N2 O6
• Calculated formula: C14 H16 Fe N2 O6
• Title of publication: Crystal structure of catena-(trans-diaqua)-di(m-3-pyridinylacetato-k2N:O)iron(II), Fe(C7H6NO2)(H2O)2
• Authors of publication: Peng Gao; Zhong-Jing Huang; Li-Ying Nong; Xia-Min Tang; Gui-Yan Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 201
• a: 9.122 ± 0.008 Å
• b: 8.625 ± 0.008 Å
• c: 9.544 ± 0.008 Å
• α: 90°
• β: 105.968 ± 0.019°
• γ: 90°
• Cell volume: 721.9 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No