Information card for entry 7029462

Structure parameters

• Formula: C98 H98 Au6 F12 N2 O4 P8
• Calculated formula: C98 H98 Au6 F12 N2 O4 P8
• 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: 16.2957 ± 0.0009 Å
• b: 18.2873 ± 0.001 Å
• c: 18.9512 ± 0.001 Å
• α: 90°
• β: 91.857 ± 0.002°
• γ: 90°
• Cell volume: 5644.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No