Information card for entry 4117626

Structure parameters

• Formula: C29 H24 F6 Mg N2 O8
• Calculated formula: C29 H24 F6 Mg N2 O8
• Title of publication: Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study
• Authors of publication: Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4762 - 4771
• a: 13.2022 ± 0.0002 Å
• b: 7.6135 ± 0.0001 Å
• c: 31.0128 ± 0.0005 Å
• α: 90°
• β: 99.863 ± 0.001°
• γ: 90°
• Cell volume: 3071.18 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No