Information card for entry 2215087

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridocopper(II)]-μ-1,4-bis(pyrimidin-2-\ ylsulfanylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']
• Formula: C16 H14 Cl2 Cu N4 S2
• Calculated formula: C16 H14 Cl2 Cu N4 S2
• SMILES: [Cu](Cl)(Cl)([n]1cccnc1SCc1ccc(cc1)CSc1[n](cccn1)[Cu](Cl)Cl)[n]1cccnc1SCc1ccc(CSc2ncccn2)cc1
• Title of publication: <i>catena</i>-Poly[[dichloridocopper(II)]-μ-1,4-bis(pyrimidin-2-ylsulfanylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Peng, Rong; Lin, Shi-Hong; Yang, Ying-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2385 - m2385
• a: 8.9243 ± 0.0009 Å
• b: 9.9867 ± 0.0009 Å
• c: 10.4339 ± 0.001 Å
• α: 90°
• β: 99.667 ± 0.002°
• γ: 90°
• Cell volume: 916.71 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes