Information card for entry 7210706

Structure parameters

• Formula: C76 H60 N2 O32 Zn2
• Calculated formula: C76 H50 N2 O32 Zn2
• SMILES: C(=O)(c1cc(C(=O)O)cc(c1)OCc1ccc(cc1)COc1cc(C(=O)O)cc(C(=O)O)c1)O[Zn]([N]#CC)(OC(=O)c1cc(C(=O)O)cc(c1)OCc1ccc(COc2cc(cc(C(=O)O[Zn]([N]#CC)(OC(=O)c3cc(C(=O)O)cc(c3)OCc3ccc(cc3)COc3cc(C(=O)O)cc(C(=O)O)c3)[OH2])c2)C(=O)O)cc1)[OH2]
• Title of publication: Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand
• Authors of publication: He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2731
• a: 8.642 ± 0.013 Å
• b: 10.856 ± 0.016 Å
• c: 21.62 ± 0.03 Å
• α: 93.143 ± 0.016°
• β: 100.055 ± 0.019°
• γ: 111.373 ± 0.019°
• Cell volume: 1844 ± 5 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: 0.2484
• Residual factor for significantly intense reflections: 0.154
• Weighted residual factors for significantly intense reflections: 0.3972
• Weighted residual factors for all reflections included in the refinement: 0.4435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No