Information card for entry 1574881

Structure parameters

• Formula: C100 H86 N2 O28 P4 Se12 Si W12
• Calculated formula: C100 H86 N2 O28 P4 Se12 Si W12
• Title of publication: Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.
• Authors of publication: Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13183 - 13188
• a: 13.76778 ± 0.0001 Å
• b: 14.64503 ± 0.0001 Å
• c: 17.18784 ± 0.00013 Å
• α: 68.0094 ± 0.0007°
• β: 68.5531 ± 0.0007°
• γ: 89.6202 ± 0.0006°
• Cell volume: 2956.65 ± 0.04 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: 0.0234
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.413 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No