Information card for entry 1564934

Structure parameters

• Formula: C75 H66 Au0.65 Cl0.65 Mn3 N12 O12
• Calculated formula: C75 H66 Au0.65 Cl0.65 Mn3 N12 O12
• Title of publication: Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework
• Authors of publication: Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.026 ± 0.003 Å
• b: 34.629 ± 0.007 Å
• c: 24.547 ± 0.005 Å
• α: 90°
• β: 95.71 ± 0.03°
• γ: 90°
• Cell volume: 11018 ± 4 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: 0.1584
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.3392
• Weighted residual factors for all reflections included in the refinement: 0.3639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No