Information card for entry 7044656

Structure parameters

• Formula: C7 H25 O20 S2 Tm
• Calculated formula: C7 H25 O20 S2 Tm
• SMILES: [Tm]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[OH2].S(=O)(=O)([O-])c1c(O)cc(cc1)C(=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: 21.5538 ± 0.0013 Å
• b: 7.6181 ± 0.0005 Å
• c: 12.2261 ± 0.0009 Å
• α: 90°
• β: 101.022 ± 0.006°
• γ: 90°
• Cell volume: 1970.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No