Information card for entry 2230448

Structure parameters

• Chemical name: <i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3- isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate
• Formula: C60 H74 I2 N6 Pd
• Calculated formula: C60 H74 I2 N6 Pd
• SMILES: I[Pd](=C1N(C=CN1C(C)C)c1ccccc1Nc1c(cccc1C(C)C)C(C)C)(=C1N(C=CN1C(C)C)c1ccccc1Nc1c(cccc1C(C)C)C(C)C)I.c1ccccc1.c1ccccc1
• Title of publication: <i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3-isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate
• Authors of publication: Daly, Christopher G.; Singh, Kuldip; Cross, Warren B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m668
• a: 8.998 ± 0.004 Å
• b: 12 ± 0.005 Å
• c: 13.839 ± 0.006 Å
• α: 81.572 ± 0.008°
• β: 78.819 ± 0.009°
• γ: 76.411 ± 0.008°
• Cell volume: 1416.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes