Information card for entry 7215147

Structure parameters

• Formula: C37 H37 N3 O13 Zn2
• Calculated formula: C37 H37 N3 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: 13.6363 ± 0.0011 Å
• b: 16.8584 ± 0.0015 Å
• c: 8.226 ± 0.0009 Å
• α: 90°
• β: 99.159 ± 0.001°
• γ: 90°
• Cell volume: 1866.9 ± 0.3 ų
• Cell temperature: 145 ± 13 K
• Ambient diffraction temperature: 145 ± 13 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: 0.059
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No