Information card for entry 2205002

Structure parameters

• Chemical name: Poly[bis[aquamercury(I)]-di-μ-aqua-μ-1,5-naphthalenedisulfonato]
• Formula: C10 H14 Hg2 O10 S2
• Calculated formula: C10 H14 Hg2 O10 S2
• SMILES: c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].[Hg]([OH2])[Hg]1([OH2])[OH2][Hg]([OH2]1)([OH2])[Hg]([OH2])([OH2])[OH2]
• Title of publication: Poly[bis[aquamercury(I)]-di-μ-aqua-μ-1,5-naphthalenedisulfonato]
• Authors of publication: Zhu, Zhi-Biao; Shan Gao; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m288 - m289
• a: 13.199 ± 0.003 Å
• b: 5.699 ± 0.001 Å
• c: 11.039 ± 0.002 Å
• α: 90°
• β: 112.79 ± 0.03°
• γ: 90°
• Cell volume: 765.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes