Information card for entry 7033124

Structure parameters

• Chemical name: Sc-pydc-3D
• Formula: C7 H5 N2 O8 Sc
• Calculated formula: C7 H5 N2 O8 Sc
• 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: 23.2465 ± 0.0009 Å
• b: 23.2465 ± 0.0009 Å
• c: 10.239 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4791.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No