Information card for entry 4132311

Structure parameters

• Formula: C51.5 H45.5 Mn2 N7.5 O8.5
• Calculated formula: C44.5 H37.5 Mn2 N7.5 O8.5
• Title of publication: Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.
• Authors of publication: Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 20
• Pages of publication: 6416 - 6425
• a: 12.461 ± 0.003 Å
• b: 33.626 ± 0.007 Å
• c: 13.016 ± 0.003 Å
• α: 90°
• β: 96.09 ± 0.03°
• γ: 90°
• Cell volume: 5423 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No