Information card for entry 7044679

Structure parameters

• Formula: C30 H60 Gd2 O48 S4
• Calculated formula: C30 H60 Gd2 O48 S4
• SMILES: c1(c(cc(cc1)C(=O)O)O)S(=O)(=O)O[Gd]1(OC2=[O][Gd](OS(=O)(=O)c3c(cc(cc3)C(=O)O)O)(OC2=[O]1)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])([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: 7.9036 ± 0.0007 Å
• b: 12.3541 ± 0.0008 Å
• c: 15.0517 ± 0.001 Å
• α: 107.339 ± 0.006°
• β: 96.737 ± 0.006°
• γ: 96.821 ± 0.006°
• Cell volume: 1374.76 ± 0.19 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: 0.0344
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No