Information card for entry 4337713

Structure parameters

• Formula: C30 H28 Mg N6 O4
• Calculated formula: C30 H28 Mg N6 O4
• SMILES: c1([N]2=Cc3c(O[Mg]24(Oc2c(cccc2)C=[N]4c2nc4ccccc4[nH]2)([OH]C)[OH]C)cccc3)nc2ccccc2[nH]1
• Title of publication: A Highly Selective Chemosensor for Al(III) and Zn(II) and Its Coordination with Metal Ions.
• Authors of publication: Cao, Wei; Zheng, Xiang-Jun; Sun, Ji-Ping; Wong, Wing-Tak; Fang, De-Cai; Zhang, Jia-Xin; Jin, Lin-Pei
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3012 - 3021
• a: 6.7782 ± 0.0006 Å
• b: 8.7472 ± 0.0008 Å
• c: 22.946 ± 0.002 Å
• α: 90°
• β: 98.465 ± 0.002°
• γ: 90°
• Cell volume: 1345.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No