Information card for entry 7041607

Structure parameters

• Formula: C81 H96 Al3 N6 O59 P W12
• Calculated formula: C81 H84 Al3 N6 O59 P W12
• Title of publication: Synergetic effect in heterogeneous acid catalysis by a porous ionic crystal based on Al(iii)-salphen and polyoxometalate.
• Authors of publication: Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko N.; Mizuno, Noritaka; Uchida, Sayaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3105 - 3109
• a: 32.127 ± 0.007 Å
• b: 15.117 ± 0.004 Å
• c: 26.528 ± 0.007 Å
• α: 90°
• β: 92.984 ± 0.004°
• γ: 90°
• Cell volume: 12866 ± 6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No