Information card for entry 4107041

Structure parameters

• Formula: C14 H9 Cu N O5
• Calculated formula: C14 H9 Cu N O5
• Title of publication: The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms
• Authors of publication: Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17532 - 17535
• a: 12.9805 ± 0.0007 Å
• b: 14.104 ± 0.0009 Å
• c: 25.6051 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4687.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No