Information card for entry 7060279

Structure parameters

• Formula: C29 H29 Cl2 F N5 O10 Sm
• Calculated formula: C29 H29 Cl2 F N5 O10 Sm
• SMILES: [Sm]1234567(Oc8c9cc(Cl)cc8C[NH+](Cc8c(O1)c(cc(Cl)c8)C=[N]7CC[O]2CC[O]3CC[N]5=C9)Cc1ccc(F)cc1)(ON(=O)=[O]4)ON(=[O]6)=O
• Title of publication: Specific detection and determination of cysteine by a luminescent samarium macrocycle-based fluorescent probe platform
• Authors of publication: Huang, Yan; Shen, Yin-Jing; Chen, Ting-Ting; Li, Benxia; Zhang, Kun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2366 - 2369
• a: 19.968 ± 0.006 Å
• b: 8.587 ± 0.003 Å
• c: 19.82 ± 0.006 Å
• α: 90°
• β: 92.046 ± 0.009°
• γ: 90°
• Cell volume: 3396.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1194
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No