Information card for entry 7053431

Structure parameters

• Formula: C30 H40 N4 O10 Zn2
• Calculated formula: C30 H40 N4 O10 Zn2
• SMILES: c12ccccc1C=[N]1[C@@H](C(=O)O[Zn]31(O2)[O]=C(O[Zn]12([N](=Cc4c(cccc4)O1)[C@H](C(=O)O2)CCCC[NH3+])[O]=C(O3)C)C)CCCC[NH3+]
• Title of publication: Direct dizinc displacement approach for efficient detection of Cu2+ in aqueous media: acetate versus phenolate bridging platforms
• Authors of publication: Khatua, Snehadrinarayan; Kang, Jina; Churchill, David G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1163
• a: 7.889 ± 0.0009 Å
• b: 9.822 ± 0.0011 Å
• c: 10.928 ± 0.0012 Å
• α: 87.205 ± 0.004°
• β: 86.952 ± 0.003°
• γ: 69.015 ± 0.003°
• Cell volume: 789.08 ± 0.15 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: 0.0689
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No