Information card for entry 8102413

Structure parameters

• Formula: C56 H88 Cd4 N32 O28 S12
• Calculated formula: C56 H88 Cd4 N32 O28 S12
• Title of publication: Crystal structure of catena-poly[diaqua-bis(4-formylpyridinethiosemicarbazone-N,S)cadmium(II)] sulfate hydrate, [Cd(H2O)2(C7H8N3S)2][SO4] · H2O
• Authors of publication: Jian-Ying Zhao; Guo-Dong Tang; Rong-Qing Li; Zai-Chao Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 205
• a: 13.6879 ± 0.0006 Å
• b: 18.6173 ± 0.0008 Å
• c: 18.247 ± 0.0007 Å
• α: 90°
• β: 90.392 ± 0.001°
• γ: 90°
• Cell volume: 4649.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No