Information card for entry 4504935

Structure parameters

• Formula: C30 H42 Cl2 N4 O13 S4 Zn
• Calculated formula: C30 H36 Cl2 N4 O13 S4 Zn
• Title of publication: Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands
• Authors of publication: Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1743
• a: 15.97 ± 0.003 Å
• b: 15.97 ± 0.003 Å
• c: 17.523 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4469.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1876
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No