Information card for entry 1569249

Structure parameters

• Formula: C118 H261 N10 O43 W13
• Calculated formula: C118 H261 N10 O43 W13
• Title of publication: A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions.
• Authors of publication: Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 51
• Pages of publication: 7919 - 7922
• a: 32.1867 ± 0.0008 Å
• b: 17.5143 ± 0.0004 Å
• c: 28.2674 ± 0.0007 Å
• α: 90°
• β: 90.691 ± 0.002°
• γ: 90°
• Cell volume: 15934 ± 0.7 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No