Information card for entry 7230086

Structure parameters

• Formula: C20 H24 N4 O46 P S2 W12
• Calculated formula: C20 H20 N4 O42 P S2 W12
• Title of publication: Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations
• Authors of publication: Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 1588
• a: 11.5893 ± 0.0011 Å
• b: 14.0435 ± 0.0013 Å
• c: 18.6103 ± 0.0014 Å
• α: 90°
• β: 123.117 ± 0.004°
• γ: 90°
• Cell volume: 2536.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No