Information card for entry 4064032

Structure parameters

• Formula: C70 H62 N2 O6 Pd2
• Calculated formula: C70 H62 N2 O6 Pd2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([N](=Cc4ccc5c6c4c3ccc6c3c4c5cccc4ccc3)c4ccc(cc4)CC)[O]=C(O2)C)[N](=Cc2ccc3c4c2c1ccc4c1c2c3cccc2ccc1)c1ccc(cc1)CC.O1CCCC1.C1CCOC1
• Title of publication: Cyclopalladated Complexes of Perylene Imine: Formation of Acetato-Bridged Dinuclear Complexes with 6,6- and 5,6-Membered Metallacycles
• Authors of publication: Lentijo, Sergio; Miguel, Jesús A.; Espinet, Pablo
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1059
• a: 12.024 ± 0.003 Å
• b: 14.667 ± 0.003 Å
• c: 16.54 ± 0.003 Å
• α: 85.326 ± 0.004°
• β: 76.814 ± 0.004°
• γ: 80.801 ± 0.004°
• Cell volume: 2800.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No