Information card for entry 4324215

Structure parameters

• Formula: C23 H38 Hg N3 O6.5 S2
• Calculated formula: C23 H38 Hg N3 O6.5 S2
• SMILES: [Hg]1(Sc2ccc([N+](C)(C)C)cc2)(Sc2ccc([N+](C)(C)C)cc2)OC(=O)C[N]1(CC(=O)[O-])C.O.O.O
• Title of publication: Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions
• Authors of publication: Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 503 - 516
• a: 14.639 ± 0.003 Å
• b: 20.439 ± 0.004 Å
• c: 37.011 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11074 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No