Information card for entry 4301639

Structure parameters

• Formula: C26 H40 N6 O15 Zn2
• Calculated formula: C26 H40 N6 O15 Zn2
• SMILES: c12ccccc1C=[N]1[C@H](C(=O)O[Zn]31([O]2[Zn]12([N](=Cc4c(cccc4)[O]31)[C@H](C(=O)O2)CCCC[NH3+])ON(=O)=O)ON(=O)=O)CCCC[NH3+].O.O.O
• Title of publication: Highly Selective Fluorescence Detection of Cu2+ in Water by Chiral Dimeric Zn2+ Complexes through Direct Displacement
• Authors of publication: Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Jung Oh Huh; Youngkyu Do; David G. Churchill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1799 - 1801
• a: 19.6098 ± 0.0014 Å
• b: 7.9168 ± 0.0006 Å
• c: 10.8334 ± 0.0008 Å
• α: 90°
• β: 98.633 ± 0.006°
• γ: 90°
• Cell volume: 1662.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No