Information card for entry 1512787

Structure parameters

• Formula: C25 H27 Cl2 N5 O2 Zn
• Calculated formula: C25 H27 Cl2 N5 O2 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)CCC(=O)Nc1c2ncccc2ccc1.OC
• 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: 7.5246 ± 0.0007 Å
• b: 9.0423 ± 0.0008 Å
• c: 20.3129 ± 0.0018 Å
• α: 84.157 ± 0.001°
• β: 87.076 ± 0.002°
• γ: 65.54 ± 0.001°
• Cell volume: 1251.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No