Information card for entry 4066584

Structure parameters

• Formula: C72 H95 Cl2 O6 P2 Pd
• Calculated formula: C72 H95 Cl2 O6 P2 Pd
• SMILES: C1c2c(cccc2)OCCCCCCCCCCOc2c(C[P]3(Cc4c(cccc4)OCCCCCCCCCCOc4c(C3)cccc4)[Pd]([P]31Cc1c(cccc1)OCCCCCCCCCCOc1c(C3)cccc1)(Cl)Cl)cccc2
• 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: 10.8159 ± 0.0017 Å
• b: 13.927 ± 0.002 Å
• c: 24.832 ± 0.004 Å
• α: 91.635 ± 0.002°
• β: 98.258 ± 0.003°
• γ: 112.841 ± 0.002°
• Cell volume: 3396.9 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0752
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No