Information card for entry 7044678

Structure parameters

• Formula: C30 H60 O48 S4 Sm2
• Calculated formula: C30 H60 O48 S4 Sm2
• SMILES: c1(c(cc(cc1)C(=O)O)O)S(=O)(=O)O[Sm]1([O]=C2C(=[O][Sm](O2)(OS(=O)(=O)c2c(cc(cc2)C(=O)O)O)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])O1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1(c(cc(cc1)C(=O)O)O)S(=O)(=O)[O-].O.O.O.O.c1(c(cc(cc1)C(=O)O)O)S(=O)(=O)[O-].O.O.O.O
• Title of publication: Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet, Visible and Near-Infrared Luminescence
• Authors of publication: Xiao, Ying-Hui; Deng, Zhaopeng; Zhu, Zhi-Biao; Huo, Li-Hua; Gao, Shan
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 7.9111 ± 0.0005 Å
• b: 12.3804 ± 0.0006 Å
• c: 15.0892 ± 0.0009 Å
• α: 107.252 ± 0.005°
• β: 96.881 ± 0.005°
• γ: 96.565 ± 0.005°
• Cell volume: 1383.6 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No