Information card for entry 2012485

Structure parameters

• Chemical name: catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-O:O'] acetonitrile hemisolvate sesquihydrate]
• Formula: C17 H28.5 Cu N8.5 O5.5 S
• Calculated formula: C17 H28.5 Cu N8.5 O5.5 S
• Title of publication: <i>catena</i>-Poly[[[tetrakis(1-methylimidazole-κ<i>N</i>^3^)copper(II)]-μ^2^-sulfato-κ^2^<i>O</i>:<i>O</i>'] acetonitrile hemisolvate sesquihydrate]
• Authors of publication: Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m65 - m67
• a: 18.6227 ± 0.0001 Å
• b: 14.2708 ± 0.0001 Å
• c: 17.5255 ± 0.0001 Å
• α: 90°
• β: 91.65 ± 0.001°
• γ: 90°
• Cell volume: 4655.66 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.042
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes