Information card for entry 2217958

Structure parameters

• Chemical name: catena-Poly[[[bis(thiourea-κS)copper(I)]-μ-thiourea-κ^2^S:S] iodide acetonitrile hemisolvate]
• Formula: C4 H13.5 Cu I N6.5 S3
• Calculated formula: C4 H13.5 Cu I N6.5 S3
• Title of publication: <i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)copper(I)]-μ-thiourea-κ^2^<i>S</i>:<i>S</i>] iodide acetonitrile hemisolvate]
• Authors of publication: Jia, Li; Kong, Ling-Qian; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m568 - m569
• a: 13.392 ± 0.008 Å
• b: 13.874 ± 0.009 Å
• c: 15.289 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2841 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0338
• 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: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes