Information card for entry 7054575

Structure parameters

• Formula: C42 H34 Cu2 N14 O18
• Calculated formula: C42 H34 Cu2 N14 O18
• Title of publication: Coordination polymers with free Brønsted acid sites for selective catalysis
• Authors of publication: Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 810
• a: 10.272 ± 0.003 Å
• b: 15.184 ± 0.004 Å
• c: 16.2 ± 0.004 Å
• α: 100.009 ± 0.003°
• β: 99.61 ± 0.003°
• γ: 108.045 ± 0.003°
• Cell volume: 2299.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No