Information card for entry 7246003

Structure parameters

• Formula: C13 H9 Cd N3 O5
• Calculated formula: C13 H9 Cd N3 O5
• Title of publication: Metal–organic frameworks incorporating azobenzene-based ligands as a heterogeneous Lewis-acid catalyst for cyanosilylation of imines
• Authors of publication: Saeed, Aasim; Zhang, Xiao-Yu; Huang, Zi-Qing; Zhao, Xin-Yang; Xu, Lei; Zhao, Yue; Sun, Wei-Yin; Zhao, Jing
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 35461 - 35468
• a: 7.5893 ± 0.0008 Å
• b: 9.8529 ± 0.0011 Å
• c: 12.2846 ± 0.0013 Å
• α: 100.78 ± 0.004°
• β: 99.296 ± 0.003°
• γ: 109.467 ± 0.004°
• Cell volume: 825.58 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No