Information card for entry 7008072

Structure parameters

• Formula: C52 H62 Cl10 O6 P2 Pd
• Calculated formula: C52 H62 Cl10 O6 P2 Pd
• SMILES: ClCCl.ClCCl.[Pd]([P](c1ccc(cc1C)OC)(c1ccc(OC)cc1C)c1ccc(OC)cc1C)([P](c1ccc(cc1C)OC)(c1ccc(OC)cc1C)c1ccc(OC)cc1C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.
• Authors of publication: Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 659 - 667
• a: 11.035 ± 0.002 Å
• b: 12.02 ± 0.002 Å
• c: 12.441 ± 0.003 Å
• α: 63.49 ± 0.03°
• β: 77.64 ± 0.03°
• γ: 89.59 ± 0.03°
• Cell volume: 1435.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No