Information card for entry 7711452

Structure parameters

• Chemical name: Cd-Sm nanocluster
• Formula: C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12
• Calculated formula: C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12
• Title of publication: Rapid and reliable triple-emissive detection of 2,6-dichloro-4-nitroaniline as a pesticide based on a high-nuclear Cd(II)-Sm(III) nanocluster
• Authors of publication: Leng, Xilong; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Li, Hao; Zhang, Zhen; Yang, Keqin; Schipper, Desmond
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 25.5669 ± 0.0014 Å
• b: 42.314 ± 0.002 Å
• c: 44.056 ± 0.003 Å
• α: 66.807 ± 0.001°
• β: 86.394 ± 0.001°
• γ: 77.298 ± 0.001°
• Cell volume: 42723 ± 4 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2228
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No