Information card for entry 2021254

Structure parameters

• Common name: sodium-iron(II) pararungstateB
• Formula: Fe2.5 H62 Na5 O78 W12
• Calculated formula: Fe2.5 H68 Na5 O78 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: 12.3758 ± 0.0006 Å
• b: 14.7752 ± 0.0007 Å
• c: 18.8919 ± 0.0008 Å
• α: 92.9341 ± 0.0014°
• β: 100.694 ± 0.0014°
• γ: 94.1698 ± 0.0015°
• Cell volume: 3378.1 ± 0.3 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: 0.0262
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes