Information card for entry 1557247

Structure parameters

• Formula: C111 H138 Mn3 N12 O21
• Calculated formula: C87 H90 Mn3 N12 O15
• 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: 12.457 ± 0.003 Å
• b: 13.242 ± 0.003 Å
• c: 33.037 ± 0.007 Å
• α: 86.69 ± 0.03°
• β: 86.08 ± 0.03°
• γ: 85.22 ± 0.03°
• Cell volume: 5411 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2796
• Residual factor for significantly intense reflections: 0.2041
• Weighted residual factors for significantly intense reflections: 0.4668
• Weighted residual factors for all reflections included in the refinement: 0.5044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No