Information card for entry 4066586

Structure parameters

• Formula: C60 H74 Cl2 O4 P2 Pd
• Calculated formula: C60 H74 Cl2 O4 P2 Pd
• SMILES: c1(ccccc1)[P]12Cc3cccc(OCCCCCCCCCCOc4cccc(C[P]([Pd]2(Cl)Cl)(c2ccccc2)Cc2cccc(OCCCCCCCCCCOc5cccc(C1)c5)c2)c4)c3
• Title of publication: Square-Planar Palladium Complexes with TransDi- and Tribenzylphosphine Ligands Bearing O(CH2)4CH═CH2Substituents; Two- and Three-Fold Intramolecular Ring-Closing Metatheses
• Authors of publication: Han, Jun; Deng, Chao; Fang, Ru; Zhao, Deyang; Wang, Leyong; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3231
• a: 12.7716 ± 0.0016 Å
• b: 22.164 ± 0.003 Å
• c: 9.5347 ± 0.0012 Å
• α: 90°
• β: 95.717 ± 0.002°
• γ: 90°
• Cell volume: 2685.6 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.133
• 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: No