Information card for entry 4080981

Structure parameters

• Formula: C24 H30 Au B F4 N4
• Calculated formula: C24 H30 Au B F4 N4
• SMILES: [Au](=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N2N(c3c1cccc3)CCCC2.[B](F)(F)(F)[F-]
• 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: 10.3775 ± 0.001 Å
• b: 13.4807 ± 0.0013 Å
• c: 17.2073 ± 0.0016 Å
• α: 90°
• β: 98.989 ± 0.003°
• γ: 90°
• Cell volume: 2377.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No