Information card for entry 1551175

Structure parameters

• Formula: C39.44 H66.01 Cl3.37 F9 N6.88 O9 P7 S3
• Calculated formula: C39.4425 H66.0065 Cl3.371 F9 N6.8785 O9 P7 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: 13.83853 ± 0.00013 Å
• b: 17.90754 ± 0.00017 Å
• c: 27.296 ± 0.0002 Å
• α: 101.396 ± 0.0007°
• β: 103.333 ± 0.0008°
• γ: 104.366 ± 0.0008°
• Cell volume: 6138.79 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No