Information card for entry 7106052

Structure parameters

• Formula: C44 H34 Cu3 N4 O14
• Calculated formula: C44 H31 Cu3 N4 O14
• Title of publication: A nanoporous metal-organic framework with accessible Cu2+ sites for catalytic Henry reaction
• Authors of publication: Lian-Xu Shi; Chuan-De Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2928
• a: 9.9506 ± 0.0007 Å
• b: 15.6823 ± 0.0018 Å
• c: 21.5 ± 0.002 Å
• α: 100.072 ± 0.009°
• β: 93.06 ± 0.007°
• γ: 106.834 ± 0.008°
• Cell volume: 3142.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1731
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.2836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No