Information card for entry 1557251

Structure parameters

• Formula: C111 H106 Cl2 Mn3 N12 O16 Rh2
• Calculated formula: C111 H106 Cl2 Mn3 N12 O16 Rh2
• Title of publication: MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.
• Authors of publication: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 225
• Journal issue: 0
• Pages of publication: 84 - 99
• a: 12.339 ± 0.003 Å
• b: 33.798 ± 0.007 Å
• c: 25.762 ± 0.005 Å
• α: 90°
• β: 96.1 ± 0.03°
• γ: 90°
• Cell volume: 10683 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1554
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2994
• Weighted residual factors for all reflections included in the refinement: 0.3403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71092 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No