Information card for entry 7112705

Structure parameters

• Common name: PCM-11
• Formula: C45 H33 Mg4 N O21 P2
• Calculated formula: C45 H33 Mg4 N O21 P2
• Title of publication: High capacity CO2 adsorption in a Mg(II)-based phosphine oxide coordination material.
• Authors of publication: Bohnsack, Alisha M.; Ibarra, Ilich A.; Hatfield, Peter W.; Yoon, Ji Woong; Hwang, Young Kyu; Chang, Jong-San; Humphrey, Simon M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 4899 - 4901
• a: 13.5792 ± 0.0004 Å
• b: 13.8958 ± 0.0004 Å
• c: 20.7478 ± 0.0006 Å
• α: 90°
• β: 104.882 ± 0.0013°
• γ: 90°
• Cell volume: 3783.66 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No