Information card for entry 7112844

Structure parameters

• Formula: C92 H118 Ag3 B3 Cl4 F12 N12 O3
• Calculated formula: C92 H108 Ag3 B3 Cl3.99 F12 N12 O3
• Title of publication: A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.
• Authors of publication: Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4728 - 4730
• a: 14.5393 ± 0.0003 Å
• b: 14.5393 ± 0.0003 Å
• c: 27.7615 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5082.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No