Information card for entry 7045028

Structure parameters

• Formula: C56 H68 N8 O19 Zn3
• Calculated formula: C38 H26 N2 O13 Zn3
• Title of publication: Multifunctional luminescent Zn(ii)-based metal-organic framework for high proton-conductivity and detection of Cr³⁺ ions in the presence of mixed metal ions.
• Authors of publication: Meng, Xing; Wei, Mei-Jie; Wang, Hai-Ning; Zang, Hong-Ying; Zhou, Zi-Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1383 - 1387
• a: 12.0554 ± 0.0009 Å
• b: 14.956 ± 0.0011 Å
• c: 36.898 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6652.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No