Information card for entry 7046787

Structure parameters

• Formula: C44 H19 N3 O26 Zn4
• Calculated formula: C45 H19 N2 O26 Zn4
• Title of publication: Rational synthesis of a luminescent uncommon (3,4,6)-c connected Zn(ii) MOF: a dual channel sensor for the detection of nitroaromatics and ferric ions.
• Authors of publication: Ma, Aiqing; Wu, Jian; Han, Yutong; Chen, Fuming; Li, Baohong; Cai, Shaoge; Huang, Hui; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9627 - 9633
• a: 17.427 ± 0.0002 Å
• b: 22.7852 ± 0.0008 Å
• c: 25.235 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10020.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No