Information card for entry 7023551

Structure parameters

• Formula: C61 Cl3 Cr9 F54 O104 P W12
• Calculated formula: C61 Cl3 Cr9 F54 O104 P W12
• Title of publication: Highly selective sorption and unique packing geometries of unsaturated hydrocarbons and CO2 in a fluorine-substituted organic-inorganic ionic crystal.
• Authors of publication: Uchida, Sayaka; Kawahara, Ryosuke; Ogasawara, Yoshiyuki; Mizuno, Noritaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16209 - 16215
• a: 23.243 ± 0.004 Å
• b: 34.859 ± 0.006 Å
• c: 22.558 ± 0.004 Å
• α: 90°
• β: 116.887 ± 0.001°
• γ: 90°
• Cell volume: 16301 ± 5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.3037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No