Information card for entry 7123986

Structure parameters

• Formula: Cl1.5 H454 Li30.5 Na51 O597 Te48 W78
• Calculated formula: Na28 O449 Te48 W78
• Title of publication: Blurring the line between addenda and heteroatoms in a giant polyoxotungstotellurite
• Authors of publication: Liu, Jin-Xiu; Izarova, Natalya V.; Kögerler, Paul
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 58.0985 ± 0.0005 Å
• b: 17.79804 ± 0.00015 Å
• c: 61.6119 ± 0.0006 Å
• α: 90°
• β: 115.75 ± 0.0011°
• γ: 90°
• Cell volume: 57382.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No