Information card for entry 2211989

Structure parameters

• Chemical name: Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κN^3^)copper(II)
• Formula: C12 H12 Cu N6 S2
• Calculated formula: C12 H12 Cu N6 S2
• SMILES: [Cu](N=C=S)(N=C=S)([n]1cn(cc1)C=C)[n]1cn(cc1)C=C
• Title of publication: Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
• Authors of publication: Wei-Hua Li; Hong-Na Chen; Guo-Hua Li; Fa-Qian Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m519 - m520
• a: 9.849 ± 0.002 Å
• b: 17.665 ± 0.004 Å
• c: 18.044 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3139.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes