Information card for entry 7215150

Structure parameters

• Formula: C54 H42 N4 O13 Zn2
• Calculated formula: C54 H42 N4 O13 Zn2
• 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: 7.3348 ± 0.0005 Å
• b: 18.9816 ± 0.0016 Å
• c: 33.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4715.7 ± 0.7 ų
• Cell temperature: 125 ± 6 K
• Ambient diffraction temperature: 125 ± 6 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No