Information card for entry 1504898

Structure parameters

• Formula: C18 H18 Cl2 N6 Zn
• Calculated formula: C18 H18 Cl2 N6 Zn
• SMILES: [Zn](Cl)(Cl)([n]1c2nc(ccc2ccc1N)C)[n]1c2nc(C)ccc2ccc1N
• Title of publication: A 1,8-naphthyridine-based fluorescent chemodosimeter for the rapid detection of Zn2+ and Cu2+.
• Authors of publication: Yu, Ming-Ming; Li, Zhan-Xian; Wei, Liu-He; Wei, Dong-Hui; Tang, Ming-Sheng
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 5115 - 5118
• a: 9.4137 ± 0.0019 Å
• b: 13.961 ± 0.003 Å
• c: 16.64 ± 0.003 Å
• α: 90.71 ± 0.02°
• β: 99.74 ± 0.03°
• γ: 109.21 ± 0.03°
• Cell volume: 2029.9 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No