Information card for entry 2218306

Structure parameters

• Chemical name: (Thiocyanato-κN)bis(thiosemicarbazide-κS)copper(I)
• Formula: C3 H10 Cu N7 S3
• Calculated formula: C3 H10 Cu N7 S3
• Title of publication: (Thiocyanato-κ<i>N</i>)bis(thiosemicarbazide-κ<i>S</i>)copper(I)
• Authors of publication: Jia, Li; Ma, Shouxin; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m796
• a: 11.488 ± 0.002 Å
• b: 6.6085 ± 0.0012 Å
• c: 14.65 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1112.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes