Information card for entry 7208200

Structure parameters

• Formula: C60 H54 B2 Cd3 F9 N11 O8
• Calculated formula: C60 H54 B2 Cd3 F9 N11 O8
• Title of publication: The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks
• Authors of publication: Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4894
• a: 22.028 ± 0.006 Å
• b: 12.607 ± 0.003 Å
• c: 23.179 ± 0.006 Å
• α: 90°
• β: 103.76 ± 0.005°
• γ: 90°
• Cell volume: 6252 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No