Information card for entry 2221513

Structure parameters

• Chemical name: Poly[[bis(acetonitrile-κ<i>N</i>)bis[μ~2~-2,2'-(methylenedithio)bis(1,3,4- thiadiazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] bis(perchlorate) acetonitrile solvate]
• Formula: C32 H34 Cl4 Cu2 N22 O16 S16
• Calculated formula: C32 H34 Cl4 Cu2 N22 O16 S16
• Title of publication: Poly[[bis(acetonitrile-κ<i>N</i>)bis[μ~2~-2,2'-(methylenedithio)bis(1,3,4-thiadiazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] bis(perchlorate) acetonitrile solvate]
• Authors of publication: Wang, Jian-Ge; Qin, Jian-Hua; Hu, Pu-Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m415
• a: 19.3144 ± 0.0018 Å
• b: 9.945 ± 0.0009 Å
• c: 18.8722 ± 0.0018 Å
• α: 90°
• β: 98.876 ± 0.001°
• γ: 90°
• Cell volume: 3581.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes