Information card for entry 7029463

Structure parameters

• Formula: C260.47 H224.7 Au12 Cl8.95 F24 N4 P16
• Calculated formula: C260.444 H224.648 Au12 Cl8.888 F24 N4 P16
• Title of publication: Metallophilicity-assisted assembly of phosphine-based cage molecules.
• Authors of publication: Shakirova, Julia R.; Grachova, Elena V.; Karttunen, Antti J.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6236 - 6243
• a: 30.2941 ± 0.0017 Å
• b: 34.3378 ± 0.0019 Å
• c: 26.6065 ± 0.0015 Å
• α: 90°
• β: 99.732 ± 0.001°
• γ: 90°
• Cell volume: 27279 ± 3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No