Information card for entry 7033744

Structure parameters

• Formula: C60 H104 F6 N6 O9
• Calculated formula: C60 H104 F6 N6 O9
• Title of publication: Anion complexation, transport and structural studies of a series of bis-methylurea compounds.
• Authors of publication: Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2138 - 2149
• a: 34.55 ± 0.002 Å
• b: 8.7957 ± 0.0005 Å
• c: 43.222 ± 0.003 Å
• α: 90°
• β: 91.801 ± 0.004°
• γ: 90°
• Cell volume: 13128.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No