Information card for entry 1505608

Structure parameters

• Formula: C28 H23 Cl2 N9 O8 Zn
• Calculated formula: C28 H31 Cl2 N9 O8 Zn
• SMILES: [Zn]123([n]4ccccc4C[N]2(Cc2cccc[n]12)Cc1cn(Cc2ccccc2)n[n]31)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(#N)C.C(#N)C
• Title of publication: Highly sensitive fluorescent probes for zinc ion based on triazolyl-containing tetradentate coordination motifs.
• Authors of publication: Huang, Sha; Clark, Ronald J.; Zhu, Lei
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 4999 - 5002
• a: 11.521 ± 0.0006 Å
• b: 13.0999 ± 0.0007 Å
• c: 13.39 ± 0.0007 Å
• α: 64.202 ± 0.001°
• β: 65.368 ± 0.001°
• γ: 82.898 ± 0.001°
• Cell volume: 1649.77 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No