Information card for entry 7712061

Structure parameters

• Formula: C117 H96 N8 O22 Re4
• Calculated formula: C117 H96 N8 O22 Re4
• Title of publication: Aggregation-induced emission enhancement (AIEE) of tetrarhenium(I) metallacycles and their application as luminescent sensors for nitroaromatics and antibiotics.
• Authors of publication: Nurnabi, Mohammad; Gurusamy, Shunmugasundaram; Wu, Jing-Yun; Lee, Chung-Chou; Sathiyendiran, Malaichamy; Huang, Sheng-Ming; Chang, Che-Hao; Chao, Ito; Lee, Gene-Hsiang; Peng, Shie-Ming; Sathish, Veerasamy; Thanasekaran, Pounraj; Lu, Kuang-Lieh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1939 - 1949
• a: 15.7647 ± 0.0009 Å
• b: 14.9159 ± 0.0008 Å
• c: 22.4345 ± 0.0013 Å
• α: 90°
• β: 90.631 ± 0.001°
• γ: 90°
• Cell volume: 5275 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No