Information card for entry 4308340

Structure parameters

• Formula: C24 H24 Cl2 Hg N4 O8 S2
• Calculated formula: C24 H24 Cl2 Hg N4 O8 S2
• SMILES: [Hg]1234([S](Cc5[n]1cccc5)Cc1[n]2cccc1)[S](Cc1[n]3cccc1)Cc1[n]4cccc1.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: 11.0894 ± 0.0007 Å
• b: 11.9455 ± 0.0007 Å
• c: 22.2423 ± 0.0014 Å
• α: 94.297 ± 0.001°
• β: 95.413 ± 0.001°
• γ: 93.737 ± 0.001°
• Cell volume: 2917.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No