Information card for entry 1515861

Structure parameters

• Formula: C32 H138 Cu4 F4 N12 O33
• Calculated formula: C29.7667 H96 Cu4 F4 N12 O32.28
• Title of publication: Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry
• Authors of publication: Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 62
• a: 37.295 ± 0.004 Å
• b: 37.295 ± 0.004 Å
• c: 37.295 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51874 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No