Information card for entry 1512788

Structure parameters

• Formula: C23 H22 Cl N5 O6 Zn
• Calculated formula: C23 H22 Cl N5 O6 Zn
• SMILES: c1cccc2C[N]34Cc5cccc[n]5[Zn]54([n]12)(N(C(=O)C3)c1cccc2ccc[n]5c12)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Zinc selective chemosensors based on the flexible dipicolylamine and quinoline
• Authors of publication: Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 542 - 551
• a: 12.3072 ± 0.0018 Å
• b: 13.6258 ± 0.0019 Å
• c: 14.514 ± 0.002 Å
• α: 90°
• β: 107.372 ± 0.002°
• γ: 90°
• Cell volume: 2322.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No