Information card for entry 4324216

Structure parameters

• Formula: C40 H60 F12 Hg2 N4 O5 P2 S4
• Calculated formula: C40 H60 F12 Hg2 N4 O5 P2 S4
• 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: 15.826 ± 0.003 Å
• b: 13.326 ± 0.003 Å
• c: 13.278 ± 0.003 Å
• α: 90°
• β: 102.42 ± 0.03°
• γ: 90°
• Cell volume: 2734.8 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No