Information card for entry 7124560

Structure parameters

• Formula: C42 H18 I6 O13 Zn4
• Calculated formula: C42 H18 I6 O13 Zn4
• Title of publication: Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series.
• Authors of publication: Babarao, Ravichandar; Coghlan, Campbell J.; Rankine, Damien; Bloch, Witold M.; Gransbury, Gemma K.; Sato, Hiroshi; Kitagawa, Susumu; Sumby, Christopher J.; Hill, Matthew R.; Doonan, Christian J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 3238 - 3241
• a: 24.4801 ± 0.001 Å
• b: 24.4801 ± 0.001 Å
• c: 29.1304 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15118.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No