Information card for entry 7058889

Structure parameters

• Formula: C140 H166 Cu4 N10 O52 Si W12
• Calculated formula: C136 H152 Cu4 N8 O48 Si W12
• Title of publication: Calix[4]arene-based polyoxometalate organic‒inorganic hybrid and coordination polymer as heterogeneous catalysts for azide‒alkyne cycloaddition and Knoevenagel condensation reaction
• Authors of publication: Yue, Liu-Juan; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15871
• a: 11.9741 ± 0.0006 Å
• b: 12.1625 ± 0.0008 Å
• c: 28.3572 ± 0.0014 Å
• α: 85.192 ± 0.005°
• β: 88.211 ± 0.004°
• γ: 72.49 ± 0.005°
• Cell volume: 3924.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No