Information card for entry 7237550

Structure parameters

• Formula: C57 H48 Cl7 N4 O3 Re
• Calculated formula: C57 H48 Cl7 N4 O3 Re
• Title of publication: Triphenylethylene-based biimidazoles showing preferable detection of explosives and their rhenium complexes undergoing chiral and cis‒trans transformations
• Authors of publication: Tao, Tao; Gan, Yitao; Zhao, Yunxia; Yu, Jianghua; Huang, Qiong; Yang, Zhen; Chen, Mindong; Huang, Wei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 3765
• a: 24.9354 ± 0.0012 Å
• b: 10.9203 ± 0.0006 Å
• c: 20.933 ± 0.0012 Å
• α: 90°
• β: 101.717 ± 0.001°
• γ: 90°
• Cell volume: 5581.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No