Information card for entry 7002864

Structure parameters

• Chemical name: catena[bis(mu2-thiocyanato-N,S) -bis(pyrimidine-N)-copper(II)]
• Formula: C10 H8 Cu N6 S2
• Calculated formula: C10 H8 Cu N6 S2
• Title of publication: In situ solid state formation of copper(I) coordination polymers by thermal reduction of copper(II) precursor compounds: structure and reactivity of [Cu(NCS)2(pyrimidine)2]n
• Authors of publication: Wriedt, Mario; Näther, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10192 - 10198
• a: 9.3335 ± 0.0007 Å
• b: 9.373 ± 0.0007 Å
• c: 17.1942 ± 0.0013 Å
• α: 97.879 ± 0.009°
• β: 97.745 ± 0.009°
• γ: 115.761 ± 0.008°
• Cell volume: 1309.7 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No