Information card for entry 7104202

Structure parameters

• Formula: C34 H39 Cl2 N5 O12 Zn
• Calculated formula: C34 H39 Cl2 N5 O12 Zn
• SMILES: c12ccc3c(c4c(cc3)cc(c3ccc(cc3)N(C)C)o4)[n]2[Zn]23([N](C1)(Cc1cccc[n]31)Cc1cccc[n]21)[OH2].CO.CO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A ratiometric fluorescent sensor with a large Stokes shift for imaging zinc ions in living cells.
• Authors of publication: Xue, Lin; Liu, Chun; Jiang, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1061 - 1063
• a: 13.54 ± 0.003 Å
• b: 15.622 ± 0.003 Å
• c: 19.581 ± 0.004 Å
• α: 106.96 ± 0.03°
• β: 95.54 ± 0.03°
• γ: 110.83 ± 0.03°
• Cell volume: 3608.9 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.1271
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No