Information card for entry 1512697

Structure parameters

• Chemical name: Dibromobis(4-methoxyimidazole)Palladium(II)
• Formula: C20 H20 Br2 N4 O2 Pd
• Calculated formula: C20 H20 Br2 N4 O2 Pd
• SMILES: [Pd](Br)(Br)([n]1cn(cc1)c1ccc(OC)cc1)[n]1cn(cc1)c1ccc(OC)cc1
• Title of publication: Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties
• Authors of publication: Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 107 - 116
• a: 11.1921 ± 0.0003 Å
• b: 12.3378 ± 0.0003 Å
• c: 7.7358 ± 0.0002 Å
• α: 90°
• β: 91.103 ± 0.002°
• γ: 90°
• Cell volume: 1068.01 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No