Information card for entry 4333392

Structure parameters

• Formula: C10 H12 Cu N2 O8 S2
• Calculated formula: C10 H12 Cu N2 O8 S2
• Title of publication: Temperature induced single-crystal-to-single-crystal transformations and structure directed effects on magnetic properties.
• Authors of publication: Legrand, Yves-Marie; van der Lee, Arie; Masquelez, Nathalie; Rabu, Pierre; Barboiu, Mihail
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9083 - 9089
• a: 9.0249 ± 0.0004 Å
• b: 8.9181 ± 0.0003 Å
• c: 9.5654 ± 0.0005 Å
• α: 90°
• β: 115.017 ± 0.006°
• γ: 90°
• Cell volume: 697.64 ± 0.06 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0335
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No