Information card for entry 7058890

Structure parameters

• Formula: C70 H79 Cd Cl2 N5 O4
• Calculated formula: C70 H79 Cd Cl2 N5 O4
• 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: 13.1543 ± 0.0005 Å
• b: 24.637 ± 0.0008 Å
• c: 42.2769 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13701.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No