Information card for entry 4068233

Structure parameters

• Formula: C23 H26 Au B Cl2 F4 N4
• Calculated formula: C23 H26 Au B Cl2 F4 N4
• SMILES: [Au](=C1N2N(c3c1cccc3)CCCC2)=C1N2N(c3c1cccc3)CCCC2.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation
• Authors of publication: Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1195
• a: 12.501 ± 0.005 Å
• b: 11.234 ± 0.005 Å
• c: 18.41 ± 0.008 Å
• α: 90°
• β: 99.032 ± 0.01°
• γ: 90°
• Cell volume: 2553.4 ± 1.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No