Information card for entry 4069109

Structure parameters

• Formula: C96 H100 Na2 O16 Sb4
• Calculated formula: C96 H100 Na2 O16 Sb4
• SMILES: [Sb]1(O[Sb]234(O[Na]([O]12)(O3)([OH2])O[Sb]123(O[Sb]([O]2[Na](O4)(O1)(O3)[OH2])([O-])([O-])c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(cc1C)C)C)c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(cc1C)C)C)([O-])([O-])c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C
• Title of publication: Reactivity of the Dinuclear Arylstibonic Acid [2,6-Mes2C6H3Sb(O)(OH)2]2toward H2SO4and NaOH
• Authors of publication: Beckmann, Jens; Hesse, Malte
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2345
• a: 13.5652 ± 0.0009 Å
• b: 18.9181 ± 0.0012 Å
• c: 18.1655 ± 0.0011 Å
• α: 90°
• β: 106.065 ± 0.005°
• γ: 90°
• Cell volume: 4479.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No