Information card for entry 1512789

Structure parameters

• Formula: C24 H22 N6 O7 Zn
• Calculated formula: C24 H22 N6 O7 Zn
• SMILES: [Zn]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)CC(Nc1cccc2ccccc12)=[O]3)ON(=O)=O.N(=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: 9.0792 ± 0.0012 Å
• b: 10.5728 ± 0.0015 Å
• c: 13.673 ± 0.0018 Å
• α: 98.742 ± 0.003°
• β: 103.224 ± 0.002°
• γ: 104.426 ± 0.002°
• Cell volume: 1206.6 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No