Information card for entry 2228936

Structure parameters

• Chemical name: Dibromidobis[1-(2,4,6-trimethylphenyl)-1,4,5,6-tetrahydropyrimidine- κ<i>N</i>^3^]palladium(II)
• Formula: C26 H36 Br2 N4 Pd
• Calculated formula: C26 H36 Br2 N4 Pd
• SMILES: C1CCN(C=[N]1[Pd]([N]1CCCN(C=1)c1c(cc(cc1C)C)C)(Br)Br)c1c(cc(cc1C)C)C
• Title of publication: Dibromidobis[1-(2,4,6-trimethylphenyl)-1,4,5,6-tetrahydropyrimidine-κ<i>N</i>^3^]palladium(II)
• Authors of publication: Mao, Pu; Liu, Xiujun; Yang, Liangru; Yuan, Jinwei; Song, Maoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m62
• a: 7.1348 ± 0.0014 Å
• b: 21.308 ± 0.004 Å
• c: 8.9704 ± 0.0018 Å
• α: 90°
• β: 94.6 ± 0.03°
• γ: 90°
• Cell volume: 1359.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes