Information card for entry 2208077

Structure parameters

• Chemical name: Bis(1-methyl-1H-imidazole-κN^3^)dithiocyanatocopper(II)
• Formula: C10 H12 Cu N6 S2
• Calculated formula: C10 H12 Cu N6 S2
• SMILES: Cn1cc[n](c1)[Cu]([n]1ccn(C)c1)(N=C=S)N=C=S
• Title of publication: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dithiocyanatocopper(II)
• Authors of publication: Guang-Xue Li; Xue-Su Liu; Xin-Hua Peng; Chun-Xu Lü
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m259 - m261
• a: 5.72 ± 0.0011 Å
• b: 15.02 ± 0.003 Å
• c: 8.434 ± 0.0017 Å
• α: 90°
• β: 91.46 ± 0.03°
• γ: 90°
• Cell volume: 724.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes