Information card for entry 7033748

Structure parameters

• Formula: C101 H131 F18 N17 O11 S
• Calculated formula: C101 H131 F18 N17 O11 S
• 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: 29.281 ± 0.006 Å
• b: 14.001 ± 0.002 Å
• c: 28.838 ± 0.006 Å
• α: 90°
• β: 113.087 ± 0.003°
• γ: 90°
• Cell volume: 10876 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No