Information card for entry 7001358

Structure parameters

• Formula: C22 H28 Hg4 O4 S2
• Calculated formula: C22 H28 Hg4 O4 S2
• Title of publication: Molecular structures of protonated and mercurated derivatives of thimerosal
• Authors of publication: Sattler, Wesley; Yurkerwich, Kevin; Parkin, Gerard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4327 - 4333
• a: 22.943 ± 0.003 Å
• b: 7.7108 ± 0.0009 Å
• c: 15.0681 ± 0.0016 Å
• α: 90°
• β: 94.551 ± 0.002°
• γ: 90°
• Cell volume: 2657.3 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No