Information card for entry 2203836

Structure parameters

• Chemical name: Aquabis(tetrahydrofuran)hexakis(trichloroacetato)copper(II)diiron(III) hexane solvate
• Formula: C26 H32 Cl18 Cu Fe2 O16
• Calculated formula: C26 H32 Cl18 Cu Fe2 O16
• Title of publication: Aquabis(tetrahydrofuran)hexakis(trichloroacetato)copper(II)diiron(III) hexane solvate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m738 - m740
• a: 13.2528 ± 0.0009 Å
• b: 13.6796 ± 0.0009 Å
• c: 29.358 ± 0.002 Å
• α: 90°
• β: 92.43 ± 0.001°
• γ: 90°
• Cell volume: 5317.6 ± 0.6 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 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: 0.129
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes