Information card for entry 4301640

Structure parameters

• Formula: C26 H36 Cl Cu2 N4 Na O12
• Calculated formula: C26 H32 Cl Cu2 N4 Na O12
• SMILES: c12ccccc1C=[N]1[C@H](C(=O)O[Cu]31[O]2[Cu]12[N](=Cc4c(cccc4)[O]31)[C@H](C(=O)O2)CCCCN)CCCCN.O=Cl(=O)(=O)[O-].O.[Na+].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: 17.1452 ± 0.0007 Å
• b: 8.7748 ± 0.0004 Å
• c: 23.3633 ± 0.001 Å
• α: 90°
• β: 94.655 ± 0.002°
• γ: 90°
• Cell volume: 3503.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No