Information card for entry 1551179

Structure parameters

• Formula: C49.5 H85 Au Cl7 F9 N8 O9 P4 S3
• Calculated formula: C49.5 H85 Au Cl7 F9 N8 O9 P4 S3
• Title of publication: Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
• Authors of publication: Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 30.6491 ± 0.0006 Å
• b: 11.9065 ± 0.0002 Å
• c: 20.2311 ± 0.0005 Å
• α: 90°
• β: 91.738 ± 0.002°
• γ: 90°
• Cell volume: 7379.4 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No