Information card for entry 4342752

Structure parameters

• Formula: Cu2 H99 Na15 O111 Si2 W16
• Calculated formula: Cu2 Na15 O111 Si2 W16
• Title of publication: Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.
• Authors of publication: Winter, Ross S.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4151 - 4155
• a: 11.7071 ± 0.0006 Å
• b: 13.4442 ± 0.0007 Å
• c: 17.5941 ± 0.0009 Å
• α: 71.425 ± 0.002°
• β: 80.487 ± 0.002°
• γ: 69.964 ± 0.002°
• Cell volume: 2461.2 ± 0.2 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: 0.0254
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No