Information card for entry 4314850

Structure parameters

• Formula: C36 H98 N6 O78 S W18
• Calculated formula: C36 H96 N6 O78 S W18
• Title of publication: Cation Controlled Assembly and Transformation of Mono- and Bi-Sulfite Templated Dawson-Type Polyoxotungstates
• Authors of publication: Jun Yan; De-Liang Long; Haralampos N. Miras; Leroy Cronin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1819 - 1825
• a: 13.4468 ± 0.0003 Å
• b: 13.9726 ± 0.0004 Å
• c: 14.3083 ± 0.0004 Å
• α: 63.971 ± 0.001°
• β: 76.702 ± 0.002°
• γ: 82.723 ± 0.002°
• Cell volume: 2349.88 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No