Information card for entry 2210207

Structure parameters

• Chemical name: Diaqua-hexakis(μ~2~-fluoroacetato-κ^2^O:O')(fluoroacetato-κO)-μ~3~-oxo- triiron(III) dihydrate
• Formula: C14 H22 F7 Fe3 O19
• Calculated formula: C14 H22 F7 Fe3 O19
• Title of publication: Diaquahexakis(μ~2~-fluoroacetato-κ^2^<i>O</i>:<i>O</i>')(fluoroacetato-κ<i>O</i>)-μ~3~-oxo-triiron(III) dihydrate
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2103 - m2105
• a: 17.9617 ± 0.0015 Å
• b: 10.6921 ± 0.0005 Å
• c: 15.5496 ± 0.0013 Å
• α: 90°
• β: 111.329 ± 0.009°
• γ: 90°
• Cell volume: 2781.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes