Information card for entry 2015423

Structure parameters

• Chemical name: 2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate
• Formula: C18 H36 Cl Fe3 N2 O19
• Calculated formula: C18 H28 Cl Fe3 N2 O19
• Title of publication: Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units
• Authors of publication: Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m297 - m302
• a: 32.147 ± 0.006 Å
• b: 12.048 ± 0.002 Å
• c: 8.0652 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.7 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1551
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes