Information card for entry 4083012

Structure parameters

• Formula: C42.5 H42 Br4 Cl3 N3 P2 Pd2
• Calculated formula: C42.5 H42 Br4 Cl3 N3 P2 Pd2
• Title of publication: Dinuclear Triazole-Derived Janus-Type N-Heterocyclic Carbene Complexes of Palladium: Syntheses, Isomerizations, and Catalytic Studies toward Direct C5-Arylation of Imidazoles
• Authors of publication: Guo, Shuai; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2004
• a: 14.6313 ± 0.0012 Å
• b: 19.8067 ± 0.0017 Å
• c: 16.2085 ± 0.0014 Å
• α: 90°
• β: 99.723 ± 0.002°
• γ: 90°
• Cell volume: 4629.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No