Information card for entry 7033123

Structure parameters

• Chemical name: Sc-pydc-2D
• Formula: C21 H17 N3 O21 Sc2
• Calculated formula: C21 H17 N3 O21 Sc2
• Title of publication: Sc₂(pydc)₂ unit based 1D, 2D and 3D metal-organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation.
• Authors of publication: Cao, Yu; Zhu, Ziqian; Xu, Jianing; Wang, Li; Sun, Jiayin; Chen, Xiaobo; Fan, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1942 - 1947
• a: 12.817 ± 0.004 Å
• b: 27.839 ± 0.008 Å
• c: 8.017 ± 0.002 Å
• α: 90°
• β: 95.42 ± 0.02°
• γ: 90°
• Cell volume: 2847.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No