Information card for entry 4308934

Structure parameters

• Formula: C3 H3 Cu I N3 S3
• Calculated formula: C3 H3 Cu I N3 S3
• Title of publication: Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
• Authors of publication: Dan Li; Wen-Juan Shi; Lei Hou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3907 - 3913
• a: 12.0266 ± 0.0004 Å
• b: 12.0266 ± 0.0004 Å
• c: 12.0266 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.52 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No