Information card for entry 7215149

Structure parameters

• Formula: C27 H18 N2 O6 Zn
• Calculated formula: C27 H18 N2 O6 Zn
• Title of publication: Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands
• Authors of publication: Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 5476
• a: 15.1064 ± 0.0014 Å
• b: 13.6928 ± 0.0012 Å
• c: 22.126 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4576.7 ± 0.7 ų
• Cell temperature: 121.4 ± 0.1 K
• Ambient diffraction temperature: 121.4 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No