Information card for entry 7001608

Structure parameters

• Formula: C40 H36 Cd2 N4 O10
• Calculated formula: C40 H36 Cd2 N4 O10
• Title of publication: Structural diversity and properties of ZnII and CdII complexes with a flexible dicarboxylate building block 1,3-phenylenediacetate and various heterocyclic co-ligands
• Authors of publication: Zhang, Mei-Li; Li, Dong-Sheng; Wang, Ji-Jiang; Fu, Feng; Du, Miao; Zou, Kun; Gao, Xiao-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5355 - 5364
• a: 10.906 ± 0.002 Å
• b: 11.047 ± 0.002 Å
• c: 15.799 ± 0.003 Å
• α: 91.546 ± 0.002°
• β: 90.233 ± 0.002°
• γ: 94.03 ± 0.002°
• Cell volume: 1898 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No