Information card for entry 2212514

Structure parameters

• Chemical name: catena-Poly[[(N,N-dimethylpropane-1,3-diamine)thiocyanatocopper(II)]- μ-thiocyanato]
• Formula: C7 H14 Cu N4 S2
• Calculated formula: C7 H14 Cu N4 S2
• SMILES: [Cu]1([NH2]CCC[N]1(C)C)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylpropane-1,3-diamine)thiocyanatocopper(II)]-μ-thiocyanato]
• Authors of publication: Chen-Yi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m832 - m834
• a: 8.221 ± 0.002 Å
• b: 6.914 ± 0.001 Å
• c: 10.981 ± 0.002 Å
• α: 90°
• β: 110.83 ± 0.003°
• γ: 90°
• Cell volume: 583.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes