Information card for entry 7033747

Structure parameters

• Formula: C84 H113 F24 N12 O9 P S
• Calculated formula: C84 H113 F24 N12 O9 P 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: 12.5362 ± 0.0016 Å
• b: 32.55 ± 0.004 Å
• c: 23.279 ± 0.003 Å
• α: 90°
• β: 97.732 ± 0.002°
• γ: 90°
• Cell volume: 9413 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No