Information card for entry 7112845

Structure parameters

• Formula: C47 H62 B3 F12 N7 O
• Calculated formula: C47 H57 B3 F12 N7 O
• SMILES: [B](F)(F)(F)[F-].C1CC[C@H]2[N+]3=CN(Cc4ccc(cc4)C[N+]4=CN(Cc5ccc(cc5)C[N+]5=CN(Cc6ccc(cc6)C3)[C@H]3[C@H]5CCCC3)[C@H]3[C@H]4CCCC3)[C@@H]2C1.C(#N)C.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 17.0096 ± 0.0004 Å
• b: 17.0096 ± 0.0004 Å
• c: 11.8953 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2980.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No