Information card for entry 7220126

Structure parameters

• Formula: C68 H48 Cu2 N8 O18
• Calculated formula: C68 H48 Cu2 N8 O18
• SMILES: [n]1(ccn(c1)c1ccc(n2cncc2)cc1)[Cu]1234[O]=C5c6c(ccc(C(=O)O)c6)c6cccc(c6)c6c(cc(cc6)C(=O)O)C(O1)=[O][Cu]14([n]4ccn(c4)c4ccc(n6cncc6)cc4)([O]=C(c4c(ccc(C(=O)O)c4)c4cccc(c4)c4ccc(cc4C(=[O]1)O3)C(=O)O)O2)O5.O.O
• Title of publication: Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes
• Authors of publication: zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.476 ± 0.0007 Å
• b: 10.5905 ± 0.0004 Å
• c: 29.7263 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6131.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No