Information card for entry 2241566

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] methanol disolvate]
• Formula: C32 H40 Cd2 N12 O4 S8
• Calculated formula: C32 H40 Cd2 N12 O4 S8
• Title of publication: Crystal structure of <i>catena</i>-poly[[[bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] methanol disolvate]
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 370 - 373
• a: 25.1891 ± 0.001 Å
• b: 5.8729 ± 0.0002 Å
• c: 15.508 ± 0.0006 Å
• α: 90°
• β: 90.124 ± 0.003°
• γ: 90°
• Cell volume: 2294.14 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes