Information card for entry 2015422

Structure parameters

• Chemical name: hexa-μ~2~-acetato-acetatoaqua(di-3-pyridylamine)di-μ~3~-oxo-tetrairon(III) chloride monohydrate ethanol 1.25-solvate
• Formula: C36.5 H50.5 Cl Fe4 N6 O19.25
• Calculated formula: C36.5 H45.25 Cl Fe4 N6 O19.25
• 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: 16.044 ± 0.004 Å
• b: 17.619 ± 0.004 Å
• c: 17.942 ± 0.005 Å
• α: 90°
• β: 91.571 ± 0.005°
• γ: 90°
• Cell volume: 5070 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• 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: 0.1366
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes