Information card for entry 1553696

Structure parameters

• Formula: C42 H28 Cu2 N10 O8
• Calculated formula: C42 H28 Cu2 N10 O8
• Title of publication: Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture
• Authors of publication: Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 129
• a: 27.6887 ± 0.0013 Å
• b: 27.6887 ± 0.0013 Å
• c: 27.6887 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21227.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No