Information card for entry 1564794

Structure parameters

• Chemical name: PIC 2
• Formula: C12 H12 Cr6 K2 Nb O104.5 P2 W17
• Calculated formula: C18 H12 Cr6 K1.9998 Nb1.0002 O106 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: 15.8474 ± 0.0003 Å
• b: 15.8474 ± 0.0003 Å
• c: 21.4754 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4670.76 ± 0.18 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No