Information card for entry 7033746

Structure parameters

• Formula: C89 H120 F24 N10 O9 S2
• Calculated formula: C88.998 H119.994 F24 N10 O8.999 S1.999
• 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: 20.944 ± 0.003 Å
• b: 24.898 ± 0.003 Å
• c: 38.318 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19981 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No