Information card for entry 7108421

Structure parameters

• Formula: C17 H21 Cu N2 O7.5
• Calculated formula: C17 H16 Cu N2 O5
• Title of publication: Metal-organic frameworks constructed from flexible V-shaped ligands: adjustment of the topology, interpenetration and porosity via a solvent system
• Authors of publication: Qingxiang Yang; Xingqiu Chen; Zhijun Chen; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10016
• a: 16.6727 ± 0.0011 Å
• b: 30.982 ± 0.002 Å
• c: 33.554 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17332.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No