Information card for entry 4080986

Structure parameters

• Formula: C33 H49 Au2 B2 Cl8 F8 N7
• Calculated formula: C33 H49 Au2 B2 Cl8 F8 N7
• SMILES: [Au](Cl)(Cl)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(C(=[Au](Cl)(Cl)=C2N(c3ccccc3N2C(C)C)C(C)C)N(N1C)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions
• Authors of publication: Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3685
• a: 20.517 ± 0.002 Å
• b: 23.027 ± 0.002 Å
• c: 20.4338 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9653.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No