Information card for entry 1564795

Structure parameters

• Chemical name: PIC 1
• Formula: C12 H12 Cr6 K4 N Nb O105.5 P2 W17
• Calculated formula: C12 H12 Cr6 K4 N Nb1.0002 O105.5 P2 W16.9998
• Title of publication: Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.
• Authors of publication: Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 18451 - 18457
• a: 15.8007 ± 0.0002 Å
• b: 26.937 ± 0.0004 Å
• c: 29.2946 ± 0.0006 Å
• α: 90°
• β: 96.5576 ± 0.0016°
• γ: 90°
• Cell volume: 12386.9 ± 0.4 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No