Information card for entry 4501126

Structure parameters

• Formula: C28 H18 Cu2 N2 O9
• Calculated formula: C28 H16 Cu2 N2 O9
• Title of publication: Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks
• Authors of publication: Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5167
• a: 14.8192 ± 0.0005 Å
• b: 11.0158 ± 0.0004 Å
• c: 16.5703 ± 0.0007 Å
• α: 90°
• β: 115.472 ± 0.001°
• γ: 90°
• Cell volume: 2442.08 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No