Information card for entry 2021253

Structure parameters

• Common name: sodium-copper(II) paratungstateB
• Formula: Cu3 H44 Na4 O68 W12
• Calculated formula: Cu3 H44 Na4 O68 W12
• Title of publication: Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study
• Authors of publication: Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 10.6516 ± 0.0005 Å
• b: 12.7532 ± 0.0006 Å
• c: 13.073 ± 0.0005 Å
• α: 113.771 ± 0.001°
• β: 90.443 ± 0.001°
• γ: 112.502 ± 0.001°
• Cell volume: 1473.65 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes