Information card for entry 1574880

Structure parameters

• Chemical name: I-Si
• Formula: C104 H92 N4 O40 P4 Si W12
• Calculated formula: C104 H92 N4 O40 P4 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: 13.90582 ± 0.00011 Å
• b: 15.07813 ± 0.00013 Å
• c: 15.90307 ± 0.00014 Å
• α: 112.371 ± 0.0008°
• β: 104.294 ± 0.0007°
• γ: 100.202 ± 0.0007°
• Cell volume: 2848.02 ± 0.05 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No