Information card for entry 2204465

Structure parameters

• Chemical name: Tetrapyridinedithiocyanatocopper(II)
• Formula: C22 H20 Cu N6 S2
• Calculated formula: C22 H20 Cu N6 S2
• SMILES: c1[n](cccc1)[Cu]([n]1ccccc1)(N=C=S)([n]1ccccc1)([n]1ccccc1)N=C=S
• Title of publication: Tetrapyridinedithiocyanatocopper(II)
• Authors of publication: Li, Zong-Xiao; Zhang, Xin-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1597 - m1598
• a: 12.42 ± 0.002 Å
• b: 12.999 ± 0.002 Å
• c: 15.18 ± 0.003 Å
• α: 90°
• β: 107.245 ± 0.003°
• γ: 90°
• Cell volume: 2340.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes