Information card for entry 4301825

Structure parameters

• Formula: C28 H48 Cl2 N4 O11 Zn2
• Calculated formula: C28 H48 Cl2 N4 O11 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+])Cl)Cl)CCCC[NH3+].CO.O.O.CO.O
• Title of publication: Aqueous Fluorometric and Colorimetric Sensing of Phosphate Ions by a Fluorescent Dinuclear Zinc Complex
• Authors of publication: Snehadrinarayan Khatua; Shin Hei Choi; Junseong Lee; Kibong Kim; Youngkyu Do; David G. Churchill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2993 - 2999
• a: 18.3133 ± 0.0013 Å
• b: 8.4505 ± 0.0007 Å
• c: 11.2021 ± 0.0008 Å
• α: 90°
• β: 90.115 ± 0.006°
• γ: 90°
• Cell volume: 1733.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No