Information card for entry 7036494

Structure parameters

• Formula: C38 H38 Br2 N4 O12 Zn3
• Calculated formula: C38 H38 Br2 N4 O12 Zn3
• Title of publication: Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.
• Authors of publication: Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 17980 - 17989
• a: 13.0114 ± 0.0005 Å
• b: 9.4909 ± 0.0004 Å
• c: 18.3354 ± 0.0006 Å
• α: 90°
• β: 109.114 ± 0.004°
• γ: 90°
• Cell volume: 2139.41 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No