Information card for entry 7024499

Structure parameters

• Formula: C16 H26 Br2 N6 Pd
• Calculated formula: C16 H26 Br2 N6 Pd
• SMILES: [Pd](Br)(Br)(=C1N(N=CN1CC=C)C(C)C)=C1N(N=CN1CC=C)C(C)C
• Title of publication: A comparison between nickel and palladium precatalysts of 1,2,4-triazole based N-heterocyclic carbenes in hydroamination of activated olefins.
• Authors of publication: Dash, Chandrakanta; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2515 - 2524
• a: 13.9545 ± 0.0015 Å
• b: 16.9015 ± 0.0018 Å
• c: 18.118 ± 0.002 Å
• α: 90°
• β: 90.197 ± 0.009°
• γ: 90°
• Cell volume: 4273.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No