Information card for entry 8102838

Structure parameters

• Chemical name: Triaqua(5-hydroxyisophthalato)iron(II) Fe(C~8~H~4~O~5~)(H~2~O)~3~
• Formula: C8 H10 Fe O8
• Calculated formula: C8 H10 Fe O8
• Title of publication: Crystal structure of triaqua(5-hydroxyisophthalato)iron(II), Fe(H2O)3(C8H4O5)
• Authors of publication: Guang Fan; Zu-Pei Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 641
• a: 18.0648 ± 0.0007 Å
• b: 7.2166 ± 0.0002 Å
• c: 15.2813 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.17 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No