Information card for entry 7033314

Structure parameters

• Formula: C18 H12 N6 O4 Zn2
• Calculated formula: C18 H12 N6 O4 Zn2
• Title of publication: Pillared metal organic frameworks for the luminescence sensing of small molecules and metal ions in aqueous solutions.
• Authors of publication: Liu, Fu-Hong; Qin, Chao; Ding, Yan; Wu, Han; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1754 - 1760
• a: 13.642 ± 0.003 Å
• b: 13.642 ± 0.003 Å
• c: 35.545 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6615 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No