Information card for entry 4308341

Structure parameters

• Formula: C24 H24 Cd Cl2 N4 O8 S2
• Calculated formula: C24 H24 Cd Cl2 N4 O8 S2
• SMILES: [Cd]1234([S](Cc5cccc[n]15)Cc1cccc[n]21)[S](Cc1cccc[n]31)Cc1cccc[n]41.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide
• Authors of publication: Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 27 - 39
• a: 11.9256 ± 0.0011 Å
• b: 14.7933 ± 0.0015 Å
• c: 16.0047 ± 0.0016 Å
• α: 90°
• β: 95.129 ± 0.002°
• γ: 90°
• Cell volume: 2812.2 ± 0.5 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No