Information card for entry 7026814

Structure parameters

• Formula: C32 H24 Cu N6 O2
• Calculated formula: C32 H24 Cu N6 O2
• SMILES: c1ccc2c(c1)nc1c(c3ccc4C=[N](c5ccc(cc5)OC)[Cu]5([N](=Cc6ccc1n56)c1ccc(cc1)OC)n34)n2
• Title of publication: A novel class of Cd(II), Hg(II) turn-on and Cu(II), Zn(II) turn-off Schiff base fluorescent probes.
• Authors of publication: Hu, Yuan; Li, Qian-qian; Li, Hua; Guo, Qian-ni; Lu, Yun-guo; Li, Zao-ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11344 - 11352
• a: 8.629 ± 0.0018 Å
• b: 16.338 ± 0.004 Å
• c: 20.422 ± 0.004 Å
• α: 67.414 ± 0.003°
• β: 80.191 ± 0.004°
• γ: 85.3 ± 0.004°
• Cell volume: 2619 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No