Information card for entry 4338501

Structure parameters

• Formula: C11 H26 Cl4 Hg N8 O3
• Calculated formula: C11 H24.66 Cl4 Hg N8 O3
• Title of publication: Binding and removal of sulfate, phosphate, arsenate, tetrachloromercurate, and chromate in aqueous solution by means of an activated carbon functionalized with a pyrimidine-based anion receptor (HL). Crystal structures of [H3L(HgCl4)]·H2O and [H3L(HgBr4)]·H2O showing anion-π interactions.
• Authors of publication: Arranz, Paloma; Bianchi, Antonio; Cuesta, Rafael; Giorgi, Claudia; Godino, M. Luz; Gutiérrez, M D; López, Rafael; Santiago, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2010
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 9321 - 9332
• a: 8.058 ± 0.005 Å
• b: 8.594 ± 0.005 Å
• c: 16.215 ± 0.005 Å
• α: 81.915 ± 0.005°
• β: 81.079 ± 0.005°
• γ: 81.648 ± 0.005°
• Cell volume: 1089.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No