Information card for entry 2213044

Structure parameters

• Chemical name: Bis(tetra-n-propylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)copper(II)
• Formula: C30 H56 Cu N2 S10
• Calculated formula: C30 H56 Cu N2 S10
• Title of publication: Bis(tetra-<i>n</i>-propylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)copper(II)
• Authors of publication: Liu, Hua-Shi; Ge, He-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m980 - m981
• a: 8.106 ± 0.002 Å
• b: 20.401 ± 0.006 Å
• c: 14.195 ± 0.004 Å
• α: 90°
• β: 116.641 ± 0.004°
• γ: 90°
• Cell volume: 2098.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes