Information card for entry 7035181

Structure parameters

• Formula: C32 H24 O22 U2
• Calculated formula: C32 H24 O22 U2
• SMILES: C1(=[O][U]2(=O)(O1)(=O)(OC(c1cccc(c1)C(=O)O)=[O][U]1(=O)(=O)(OC(=[O]1)c1cccc(c1)C(=O)O)([O]=C(c1cccc(c1)C(=O)O)O2)[OH2])[OH2])c1cccc(c1)C(=O)O
• Title of publication: A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.
• Authors of publication: Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11562 - 11571
• a: 6.8418 ± 0.0005 Å
• b: 10.4751 ± 0.0007 Å
• c: 13.1315 ± 0.0009 Å
• α: 86.141 ± 0.001°
• β: 86.106 ± 0.001°
• γ: 71.252 ± 0.001°
• Cell volume: 888.09 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0204
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No