Information card for entry 7040486

Structure parameters

• Formula: C16 H7 Er O13 S
• Calculated formula: C16 H7 Er O13 S
• Title of publication: Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.
• Authors of publication: Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15436
• a: 5.8366 ± 0.0012 Å
• b: 13.138 ± 0.003 Å
• c: 13.748 ± 0.003 Å
• α: 110.348 ± 0.003°
• β: 94.596 ± 0.003°
• γ: 94.043 ± 0.003°
• Cell volume: 979.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No