Information card for entry 7002079

Structure parameters

• Formula: C48 H48 Br2 N4 O2 Pd
• Calculated formula: C48 H48 Br2 N4 O2 Pd
• Title of publication: Synthesis, characterization and catalytic activity of novel N-heterocyclic carbene-palladium complexes
• Authors of publication: Doğan, Öznur; Gürbüz, Nevin; Özdemir, İsmail; Çetinkaya, Bekir; Şahin, Onur; Büyükgüngör, Orhan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7087
• a: 8.9725 ± 0.0003 Å
• b: 10.4541 ± 0.0004 Å
• c: 12.0262 ± 0.0004 Å
• α: 81.773 ± 0.003°
• β: 86.671 ± 0.003°
• γ: 85.751 ± 0.004°
• Cell volume: 1112.08 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.045
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No