Information card for entry 4339485

Structure parameters

• Formula: C7 H12 Cu3 N5 O3 S
• Calculated formula: C7 H12 Cu3 N5 O3 S
• Title of publication: New organically templated copper(I) sulfites: the role of sulfite anion as both soft and hard ligand.
• Authors of publication: Li, Pei-Xin; Jiang, Hai-Long; Feng, Mei-Ling; Mao, Jiang-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8302 - 8308
• a: 7.452 ± 0.006 Å
• b: 8.103 ± 0.006 Å
• c: 11.452 ± 0.008 Å
• α: 82.32 ± 0.02°
• β: 88.47 ± 0.03°
• γ: 67.021 ± 0.012°
• Cell volume: 630.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No