Information card for entry 7235742

Structure parameters

• Formula: C25 H17 N2 O6 Zn
• Calculated formula: C25 H17 N2 O6 Zn
• Title of publication: π-Conjugation-directed highly selective adsorption of benzene over cyclohexane
• Authors of publication: Ren, Cai-Xia; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Zhang, Jie
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 9015
• a: 18.085 ± 0.006 Å
• b: 9.034 ± 0.003 Å
• c: 22.337 ± 0.008 Å
• α: 90°
• β: 100.725 ± 0.004°
• γ: 90°
• Cell volume: 3586 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No