Information card for entry 7055174

Structure parameters

• Chemical name: compoud 1
• Formula: C27.5 H26.9 Cd N2.5 O10
• Calculated formula: C26 H20 Cd N2 O8
• Title of publication: A novel 2D infinite M3L2cage-based Cd(ii) microporous coordination polymer with a tripodal carboxylic acid ligand and solvent-dependent luminescence properties
• Authors of publication: Su, Jian; Yao, Liudi; Zhang, Jun; Yuan, Shizhen; Xie, Fazhi; Ding, Yi; Zhao, Meng; Wang, Shichao; Li, Hao; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 97
• a: 17.9949 ± 0.0007 Å
• b: 17.9949 ± 0.0007 Å
• c: 64.9775 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18221.9 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No