Information card for entry 7001605

Structure parameters

• Formula: C44 H48 N4 O16 Zn2
• Calculated formula: C44 H48 N4 O16 Zn2
• SMILES: C1(=O)Cc2cc(ccc2)CC2=[O][Zn]3([n]4cccc5ccc6ccc[n]3c6c45)(OC(=O)Cc3cc(ccc3)CC3=[O][Zn]4([n]5cccc6ccc7ccc[n]4c7c56)(O1)O3)O2.O.O.O.O.O.O.O.O
• 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: 10.483 ± 0.007 Å
• b: 11.138 ± 0.007 Å
• c: 12.13 ± 0.008 Å
• α: 72.196 ± 0.007°
• β: 65.119 ± 0.007°
• γ: 68.308 ± 0.007°
• Cell volume: 1174.7 ± 1.3 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: 0.0552
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No