Information card for entry 4302628

Structure parameters

• Formula: C36 H22 O20 Pb5
• Calculated formula: C36 H22 O20 Pb5
• SMILES: c1(c(cccc1)C(=O)[O-])C(=O)[O-].[Pb+2].[O-]C(=O)c2c(cccc2)C(=O)[O-].[O-]C(C)=O.[Pb+2].[Pb+2].c1(C(=O)[O-])c(cccc1)C(=O)[O-].[Pb+2].[O-]C(C)=O.[Pb+2].c1(c(cccc1)C(=O)[O-])C(=O)[O-]
• Title of publication: Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D
• Authors of publication: Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6517 - 6525
• a: 7.146 ± 0.003 Å
• b: 10.323 ± 0.004 Å
• c: 14.009 ± 0.006 Å
• α: 109.922 ± 0.015°
• β: 92.24 ± 0.02°
• γ: 105.002 ± 0.016°
• Cell volume: 929.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No