Information card for entry 4080984

Structure parameters

• Formula: C42 H36 Au B F4 N4
• Calculated formula: C42 H36 Au B F4 N4
• 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: 8.3264 ± 0.0003 Å
• b: 10.9307 ± 0.0004 Å
• c: 11.1756 ± 0.0005 Å
• α: 68.58 ± 0.001°
• β: 86.511 ± 0.001°
• γ: 67.939 ± 0.001°
• Cell volume: 874.11 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No