Information card for entry 8103043

Structure parameters

• Formula: H78 Mg5 N2 O77 W12
• Calculated formula: H78 Mg5 N2 O77 W12
• Title of publication: Crystal structure of diammonium hexaaquamagnesium icosaaqua-tetramagnesium-hexakis(m3-oxo)-hexacosakis(m2-oxo)-decaoxo-dodecatungsten octahydrate, (NH4)2[Mg(H2O)6][Mg4(H2O)20W12O42] · 8H2O
• Authors of publication: Hai-Xing Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 233
• a: 12.5454 ± 0.0012 Å
• b: 13.344 ± 0.002 Å
• c: 13.6508 ± 0.0015 Å
• α: 91.266 ± 0.002°
• β: 116.702 ± 0.003°
• γ: 111.9 ± 0.002°
• Cell volume: 1843.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0872
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No