Information card for entry 7701612

Structure parameters

• Formula: C7 H6 Cu N2 O4
• Calculated formula: C7 H6 Cu N2 O4
• Title of publication: Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.
• Authors of publication: Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10199 - 10209
• a: 7.7542 ± 0.0006 Å
• b: 10.5032 ± 0.0006 Å
• c: 9.6297 ± 0.001 Å
• α: 90°
• β: 92.624 ± 0.007°
• γ: 90°
• Cell volume: 783.46 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No