Information card for entry 1571894

Structure parameters

• Formula: C98 H83 N O28 P4 S12 Si W12
• Calculated formula: C98 H83 N O28 P4 S12 Si W12
• Title of publication: Synthesis of polyoxothiometalates through site-selective post-editing sulfurization of polyoxometalates.
• Authors of publication: Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11267 - 11271
• a: 13.6691 ± 0.0002 Å
• b: 14.5906 ± 0.0002 Å
• c: 17.0239 ± 0.0002 Å
• α: 67.9371 ± 0.0013°
• β: 68.7098 ± 0.0013°
• γ: 89.8358 ± 0.0011°
• Cell volume: 2896.62 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4142 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No