Information card for entry 4118050

Structure parameters

• Common name: 1b
• Formula: C33 H24 Mn1.5 O12.5
• Calculated formula: C33 H24 Mn1.5 O12.5
• Title of publication: Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations
• Authors of publication: Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9581 - 9584
• a: 13.4319 ± 0.0004 Å
• b: 16.216 ± 0.0004 Å
• c: 16.2911 ± 0.0004 Å
• α: 108.099 ± 0.001°
• β: 102.652 ± 0.002°
• γ: 106.188 ± 0.002°
• Cell volume: 3052.14 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No