Information card for entry 2240029

Structure parameters

• Common name: trimethylposphinesulfidecopper(I) thiocyanate
• Chemical name: Poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)]
• Formula: C4 H9 Cu N P S2
• Calculated formula: C4 H9 Cu N P S2
• Title of publication: Crystal structure of poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)]
• Authors of publication: Corfield, Peter W. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 281 - 285
• a: 5.793 ± 0.003 Å
• b: 14.091 ± 0.003 Å
• c: 22.064 ± 0.007 Å
• α: 90°
• β: 98.945 ± 0.017°
• γ: 90°
• Cell volume: 1779.2 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes