Information card for entry 1548506

Structure parameters

• Formula: C40 H31 Ag F6 N P3
• Calculated formula: C40 H31 Ag F6 N P3
• SMILES: [Ag]([N]#CC)([P](c1c2ccccc2c(P(c2ccccc2)c2ccccc2)c2ccccc12)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1c2c(c([P]([Ag][N]#CC)(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules
• Authors of publication: Lin Rong Er
• Journal of publication: Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE
• Year of publication: 2005
• Pages of publication: 1
• a: 9.7572 ± 0.0005 Å
• b: 14.8314 ± 0.0008 Å
• c: 24.1685 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3497.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No