Information card for entry 7029865

Structure parameters

• Formula: C24 H18 Cl Cu N3 O2
• Calculated formula: C24 H18 Cl Cu N3 O2
• SMILES: c12ccccc1[nH]c1c3ccccc3[N]3=Cc4c(ccc5ccccc45)O[Cu]3(Cl)[n]21.O
• Title of publication: A highly selective and sensitive Zn(ii) complex-based chemosensor for sequential recognition of Cu(ii) and cyanide.
• Authors of publication: Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7298 - 7303
• a: 14.821 ± 0.003 Å
• b: 10.615 ± 0.002 Å
• c: 25.757 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4052.2 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No