Information card for entry 1542279

Structure parameters

• Formula: C42 H28 Cu La4 N6 O38 S2
• Calculated formula: C42 H30 Cu La4 N6 O38 S2
• Title of publication: A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes
• Authors of publication: Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3727
• a: 9.4008 ± 0.0005 Å
• b: 11.5017 ± 0.0006 Å
• c: 13.7959 ± 0.0007 Å
• α: 108.56 ± 0.001°
• β: 106.079 ± 0.002°
• γ: 97.893 ± 0.002°
• Cell volume: 1316.5 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No