Information card for entry 7042377

Structure parameters

• Formula: C15 H16 N6 O4 Zn
• Calculated formula: C15 H16 N6 O4 Zn
• Title of publication: Selective gas adsorption and fluorescence sensing response of a Zn(ii) metal-organic framework constructed by a mixed-ligand strategy.
• Authors of publication: Liu, Xiao-Jing; Wang, Xi; Xu, Jia-Li; Tian, Dan; Chen, Rong-Ying; Xu, Jian; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 4893 - 4897
• a: 10.37 ± 0.002 Å
• b: 10.025 ± 0.002 Å
• c: 19.575 ± 0.004 Å
• α: 90°
• β: 92.13 ± 0.03°
• γ: 90°
• Cell volume: 2033.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.22
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No