Information card for entry 4308342

Structure parameters

• Formula: C26 H26 Cl2 N5 O8 S2 Zn
• Calculated formula: C26 H26 Cl2 N5 O8 S2 Zn
• SMILES: [n]12ccccc1C[S]1[Zn]342([n]2ccccc2C[S]4Cc2[n]3cccc2)[n]2ccccc2C1.Cl(=O)(=O)(=O)[O-].C(#N)C.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: 15.1477 ± 0.0009 Å
• b: 11.9972 ± 0.0007 Å
• c: 17.1143 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3110.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No