Information card for entry 1505609

Structure parameters

• Formula: C24 H25 Cl2 N7 O9.25 Zn
• Calculated formula: C24 H25 Cl2 N7 O9.175 Zn
• SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.COc1ccc(cc1)n1cc2[n](n1)[Zn]13([N](C2)(Cc2[n]3cccc2)Cc2[n]1cccc2)[N]#CC.O
• 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: 12.4808 ± 0.0005 Å
• b: 13.1112 ± 0.0006 Å
• c: 17.6147 ± 0.0008 Å
• α: 90°
• β: 97.676 ± 0.001°
• γ: 90°
• Cell volume: 2856.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No