Information card for entry 1557280

Structure parameters

• Formula: C27 H29 Dy N10 O6 S
• Calculated formula: C27 H29 Dy N10 O6 S
• SMILES: [Dy]12345(ON(=O)=[O]4)(ON(=[O]1)=O)([n]1c4c(n(c1C=[N]3[C@H]1[C@@H]([N]2=Cc2n(c3c([n]52)cccc3)C)CCCC1)C)cccc4)N=C=S.CC#N
• Title of publication: Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents
• Authors of publication: Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei
• Journal of publication: Langmuir
• Year of publication: 2020
• a: 12.249 ± 0.005 Å
• b: 10.064 ± 0.004 Å
• c: 26.264 ± 0.011 Å
• α: 90°
• β: 90.684 ± 0.009°
• γ: 90°
• Cell volume: 3237 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1807
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No