Information card for entry 1568031

Structure parameters

• Formula: C37 H44 Cl2 N7 O10 Sm
• Calculated formula: C37 H44 Cl2 N7 O10 Sm
• Title of publication: Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex.
• Authors of publication: Zhang, Chengjian; Li, Sichen; Zheng, Ruijie; Tai, Shengdi; Yang, Kang; Zhang, Kun
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 361 - 367
• a: 16.9139 ± 0.0013 Å
• b: 14.088 ± 0.0011 Å
• c: 17.1758 ± 0.0014 Å
• α: 90°
• β: 99.958 ± 0.002°
• γ: 90°
• Cell volume: 4031 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.0605
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No