Information card for entry 1551928

Structure parameters

• Formula: C150 H132 Cl4 Co2 Mn6 N24 O24
• Calculated formula: C150 H132 Cl4 Co2 Mn6 N24 O24
• 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: 12.236 ± 0.002 Å
• b: 33.628 ± 0.007 Å
• c: 51.707 ± 0.01 Å
• α: 90°
• β: 94.19 ± 0.03°
• γ: 90°
• Cell volume: 21219 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No