Information card for entry 7112353

Structure parameters

• Formula: C20 H16 Cu F6 N4 Ti
• Calculated formula: C20 H16 Cu F6 N4 Ti
• Title of publication: Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution.
• Authors of publication: Nugent, Patrick; Rhodus, Vanessah; Pham, Tony; Tudor, Brant; Forrest, Katherine; Wojtas, Lukasz; Space, Brian; Zaworotko, Michael
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 1606 - 1608
• a: 11.1001 ± 0.0006 Å
• b: 11.1001 ± 0.0006 Å
• c: 8.4055 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1035.66 ± 0.12 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7108860
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No