Information card for entry 1565307

Structure parameters

• Formula: C48 H30 N4 O8 Zn
• Calculated formula: C48 H30 N4 O8 Zn
• SMILES: [Zn]123([n]4cc(c5nc(cc(c5)c5ccc(C6=[O][Zn](O6)[n]6cc(c7nc(cc(c7)c7ccc(C(=[O]1)O2)cc7)c1ccc(C(=O)O)cc1)ccc6)cc5)c1ccc(C(=O)O)cc1)ccc4)([n]1cc(c2nc(cc(c2)c2ccc(C(=O)[O-])cc2)c2ccc(C(=O)O)cc2)ccc1)[O]=C(O3)c1ccc(c2cc(nc(c2)c2ccc(C(=O)O)cc2)c2cnccc2)cc1
• Title of publication: Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents
• Authors of publication: Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119403
• a: 30.6585 ± 0.0009 Å
• b: 6.7749 ± 0.0002 Å
• c: 18.7891 ± 0.0005 Å
• α: 90°
• β: 93.895 ± 0.003°
• γ: 90°
• Cell volume: 3893.64 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No