Information card for entry 7044671

Structure parameters

• Formula: C17 H13 N2 Nd O7 S
• Calculated formula: C17 H13 N2 Nd O7 S
• 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: 11.2649 ± 0.0008 Å
• b: 8.5729 ± 0.0003 Å
• c: 18.2321 ± 0.0009 Å
• α: 90°
• β: 108.005 ± 0.008°
• γ: 90°
• Cell volume: 1674.5 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No