Information card for entry 1551929

Structure parameters

• Formula: C79 H66 Cl2 Mn3 N12 O16 Rh2
• Calculated formula: C79 H66 Cl2 Mn3 N12 O16 Rh2
• Title of publication: Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks
• Authors of publication: Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 906 - 912
• a: 12.352 ± 0.003 Å
• b: 33.725 ± 0.007 Å
• c: 13.03 ± 0.003 Å
• α: 90°
• β: 96.63 ± 0.03°
• γ: 90°
• Cell volume: 5392 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No