Information card for entry 2229308

Structure parameters

• Chemical name: Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2- yl]dibromidopalladium(II) acetonitrile disolvate
• Formula: C44 H40 Br2 N8 Pd
• Calculated formula: C44 H40 Br2 N8 Pd
• SMILES: C(c1ccccc1)N1C(N(C=C1)Cc1cccc2cccnc12)=[Pd](Br)(=C1N(C=CN1Cc1cccc2cccnc12)Cc1ccccc1)Br.N#CC.N#CC
• Title of publication: Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2-yl]dibromidopalladium(II) acetonitrile disolvate
• Authors of publication: Sun, Jiafeng; Wang, Guixiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m165
• a: 8.179 ± 0.003 Å
• b: 10.769 ± 0.004 Å
• c: 11.928 ± 0.004 Å
• α: 101.506 ± 0.005°
• β: 90.842 ± 0.005°
• γ: 107.944 ± 0.004°
• Cell volume: 976.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes