Information card for entry 7058706

Structure parameters

• Formula: C94 H94 Gd2 N8 O22
• Calculated formula: C94 H94 Gd2 N8 O22
• Title of publication: Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing
• Authors of publication: He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13499
• a: 17.1988 ± 0.0012 Å
• b: 12.256 ± 0.0009 Å
• c: 20.2497 ± 0.0014 Å
• α: 90°
• β: 92.024 ± 0.001°
• γ: 90°
• Cell volume: 4265.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No