Information card for entry 1516416

Structure parameters

• Common name: Tetra-isoamylammonium polyacrylate clathrate hydrate (1:39)
• Formula: C23 H125 N O41
• Calculated formula: C21 H46.56 N1.02 O38.98
• Title of publication: Calorimetric and X-ray studies of clathrate hydrates of tetraisoamylammonium polyacrylates.
• Authors of publication: Terekhova, Irina S.; Manakov, Andrey Yu; Soldatov, Dmitriy V.; Suwinska, Kinga; Skiba, Sergey S.; Stenin, Yuri G.; Villevald, Galina V.; Karpova, Tamara D.; Yunoshev, Alexander S.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 17
• Pages of publication: 5760 - 5768
• a: 12.15 ± 0.001 Å
• b: 12.15 ± 0.001 Å
• c: 12.58 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1608.3 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.1354
• Weighted residual factors for significantly intense reflections: 0.4027
• Weighted residual factors for all reflections included in the refinement: 0.411
• Goodness-of-fit parameter for all reflections included in the refinement: 2.214
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No