Information card for entry 1552956

Structure parameters

• Common name: Iron gallate hydrate
• Chemical name: Iron gallate tri-hydrate
• Formula: C7 H9.37 Fe O8.18
• Calculated formula: C7 H3 Fe O8.173
• Title of publication: Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink.
• Authors of publication: Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan
• Journal of publication: Analytical chemistry
• Year of publication: 2016
• Journal volume: 88
• Journal issue: 10
• Pages of publication: 5152 - 5158
• a: 8.7445 ± 0.0016 Å
• b: 8.7445 ± 0.0016 Å
• c: 10.935 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 724.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No