Information card for entry 1559345

Structure parameters

• Common name: copper(II) thiocyanate
• Chemical name: catena[bis(mu2-thiocyanato-N,S)copper(II)]
• Formula: C2 Cu N2 S2
• Calculated formula: C2 Cu N2 S2
• Title of publication: Low-dimensional quantum magnetism in Cu(NCS)2, a molecular framework material
• Authors of publication: Matthew J. Cliffe; Jeongjae Lee; Joseph A. M. Paddison; Sam Schott; Paromita Mukherjee; Michael W. Gaultois; Pascal Manuel; Henning Sirringhaus; Sian E. Dutton; Clare P. Grey
• Journal of publication: Physical Review B
• Year of publication: 2018
• Journal volume: 97
• Journal issue: 14
• Pages of publication: 144421
• a: 3.91596 ± 0.00002 Å
• b: 5.65637 ± 0.00002 Å
• c: 6.0677 ± 0.00003 Å
• α: 82.3705 ± 0.00018°
• β: 85.0719 ± 0.00018°
• γ: 113.5 ± 0.00016°
• Cell volume: 120.729 ± 0.001 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.1449
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.414537 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No