Information card for entry 7712142

Structure parameters

• Formula: C36 Cd3 Cu9 K9.05 N36 Nb54 O234 Si3
• Calculated formula: C36 Cd3 Cu9 K9.044 N36 Nb54 O234 Si3
• Title of publication: Cadmium-containing windmill-like heteropolyoxoniobate macrocycle with high yield for catalyzing Knoevenagel condensation.
• Authors of publication: Liu, Zheng-Yi; Ye, Jian-Ping; Li, Yi-Lun; Sun, Yan-Qiong; Li, Xin-Xiong; Sun, Cai; Zheng, Shou-Tian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1193 - 1197
• a: 25.5734 ± 0.0004 Å
• b: 26.5996 ± 0.0004 Å
• c: 26.713 ± 0.0004 Å
• α: 61.229 ± 0.002°
• β: 78.987 ± 0.001°
• γ: 81.922 ± 0.001°
• Cell volume: 15609.8 ± 0.5 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No