Information card for entry 7055587

Structure parameters

• Formula: C24 H12 Cl2 N4 O8 Pb3
• Calculated formula: C24 H12 Cl2 N4 O8 Pb3
• SMILES: [Cl-].[Pb+2].[O-]C(=O)c1ccc(c2ccc(C(=O)[O-])cn2)nc1.[Pb+2].C(=O)([O-])c1cnc(cc1)c1ccc(cn1)C(=O)[O-].[Pb+2].[Cl-]
• Title of publication: Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands
• Authors of publication: Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6867
• a: 19.6153 ± 0.0005 Å
• b: 7.10613 ± 0.00016 Å
• c: 18.5113 ± 0.0004 Å
• α: 90°
• β: 94.072 ± 0.002°
• γ: 90°
• Cell volume: 2573.76 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No