Information card for entry 2221180

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis[2,2'-(propane-1,3-diyldithio)bis(1,3,4-thiadiazole)- κ<i>N</i>^4^]copper(II)]-bis[μ-2,2'-(propane-1,3-diyldithio)bis(1,3,4- thiadiazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] bis(perchlorate)]
• Formula: C28 H32 Cl2 Cu N16 O8 S16
• Calculated formula: C28 H32 Cl2 Cu N16 O8 S16
• SMILES: [Cu]1([n]2nc(sc2)SCCCSc2scnn2)([n]2nc(sc2)SCCCSc2scnn2)[n]2nc(sc2)SCCCSc2sc[n](n2)[Cu]([n]2nc(sc2)SCCCSc2sc[n]1n2)([n]1nc(sc1)SCCCSc1scnn1)([n]1nc(sc1)SCCCSc1scnn1)([n]1nc(SCCCSc2scnn2)sc1)[n]1nc(sc1)SCCCSc1scnn1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[bis[2,2'-(propane-1,3-diyldithio)bis(1,3,4-thiadiazole)-κ<i>N</i>^4^]copper(II)]-bis[μ-2,2'-(propane-1,3-diyldithio)bis(1,3,4-thiadiazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] bis(perchlorate)]
• Authors of publication: Qin, Jian-Hua; Wang, Jian-Ge; Hu, Pu-Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m349 - m350
• a: 10.321 ± 0.003 Å
• b: 11.122 ± 0.003 Å
• c: 12.908 ± 0.004 Å
• α: 67.213 ± 0.003°
• β: 76.602 ± 0.003°
• γ: 76.675 ± 0.003°
• Cell volume: 1312.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes