Information card for entry 4066585

Structure parameters

• Formula: C60 H70 Cl2 O4 P2 Pd
• Calculated formula: C60 H70 Cl2 O4 P2 Pd
• SMILES: C1c2c(OCCCC/C=C/CCCCOc3ccccc3C[P]1(c1ccccc1)[Pd]([P]1(Cc3ccccc3OCCCC/C=C/CCCCOc3ccccc3C1)c1ccccc1)(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: 18.139 ± 0.004 Å
• b: 14.833 ± 0.003 Å
• c: 21.881 ± 0.004 Å
• α: 90°
• β: 107.909 ± 0.003°
• γ: 90°
• Cell volume: 5602 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No