Information card for entry 7215152

Structure parameters

• Formula: C42 H36 Cd2 N2 O16
• Calculated formula: C42 H36 Cd2 N2 O16
• 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: 10.1479 ± 0.0012 Å
• b: 13.8385 ± 0.0015 Å
• c: 28.596 ± 0.002 Å
• α: 90°
• β: 100.104 ± 0.001°
• γ: 90°
• Cell volume: 3953.5 ± 0.7 ų
• Cell temperature: 121.2 ± 0.14 K
• Ambient diffraction temperature: 121.2 ± 0.14 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: 0.1347
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No