Information card for entry 2213522

Structure parameters

• Chemical name: catena-Poly[[(N,N-diethylethane-1,2-diamine)thiocyanatocopper(II)]- μ-thiocyanato]
• Formula: C8 H16 Cu N4 S2
• Calculated formula: C8 H16 Cu N4 S2
• SMILES: [Cu]1([NH2]CC[N]1(CC)CC)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethylethane-1,2-diamine)thiocyanatocopper(II)]-μ-thiocyanato]
• Authors of publication: Li-Hua Wang; Li-Zhong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1214 - m1216
• a: 9.5219 ± 0.0009 Å
• b: 9.9083 ± 0.0009 Å
• c: 14.1931 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes