Information card for entry 4063240

Structure parameters

• Formula: C25 H26 Br2 N4 O
• Calculated formula: C25 H26 Br2 N4 O
• SMILES: [Br-].[Br-].C1c2c(cccc2)C[n+]2c3c4n1cc[n+]4Cc1c(Cn3cc2)cccc1.CC(=O)C
• Title of publication: Synthesis of a Bis(N-heterocyclic carbene)palladium Complex via Oxidative Addition of a C-C Bond in a Biimidazolium Ion
• Authors of publication: Murray V. Baker; David H. Brown; Valerie J. Hesler; Brian W. Skelton; Allan H. White
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 250 - 252
• a: 9.969 ± 0.001 Å
• b: 10.286 ± 0.001 Å
• c: 11.985 ± 0.001 Å
• α: 80.957 ± 0.003°
• β: 86.821 ± 0.003°
• γ: 75.278 ± 0.003°
• Cell volume: 1173.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No