Information card for entry 7710102

Structure parameters

• Formula: C6 H6 Cr3 K4 O66 Si Ta W11
• Calculated formula: C6 H6 Cr3 K4 O66 Si Ta0.9996 W11.0004
• Title of publication: Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates
• Authors of publication: Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.4565 ± 0.0004 Å
• b: 16.0527 ± 0.0004 Å
• c: 17.0555 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6695.9 ± 0.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.2751
• 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: No
• Has Fobs: No