Information card for entry 7229646

Structure parameters

• Formula: C43 H48 Cd Cl4 N2
• Calculated formula: C43 H48 Cd Cl4 N2
• SMILES: c1(c(cc(cc1CC)Cc1cc(c(c(c1)CC)[NH2+]Cc1cccc2ccccc12)CC)CC)[NH2+]Cc1cccc2ccccc12.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds
• Authors of publication: Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 3
• Pages of publication: 323
• a: 16.92 ± 0.003 Å
• b: 16.352 ± 0.003 Å
• c: 16.032 ± 0.003 Å
• α: 90°
• β: 113.205 ± 0.002°
• γ: 90°
• Cell volume: 4076.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No