Information card for entry 7212038

Structure parameters

• Formula: C56 H40 N8 O17 Zn2
• Calculated formula: C56 H40 N8 O17 Zn2
• Title of publication: pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties
• Authors of publication: Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2157
• a: 10.001 ± 0.002 Å
• b: 20.682 ± 0.003 Å
• c: 13.341 ± 0.002 Å
• α: 90°
• β: 90.525 ± 0.006°
• γ: 90°
• Cell volume: 2759.3 ± 0.8 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: 0.0653
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No