Information card for entry 7018882

Structure parameters

• Formula: C26 H30 Br2 I2 N4 Pd
• Calculated formula: C26 H30 Br2 I2 N4 Pd
• SMILES: C1(N(C=CN1c1ccc(cc1)Br)CCCC)=[Pd](=C1N(C=CN1c1ccc(cc1)Br)CCCC)(I)I
• Title of publication: Phosphino imidazoles and imidazolium salts for Suzuki C-C coupling reactions.
• Authors of publication: Milde, Bianca; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5377 - 5390
• a: 8.7047 ± 0.0005 Å
• b: 12.7269 ± 0.0006 Å
• c: 14.2494 ± 0.0007 Å
• α: 78.787 ± 0.004°
• β: 82.971 ± 0.004°
• γ: 74.495 ± 0.004°
• Cell volume: 1487.97 ± 0.14 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.0344
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No