Information card for entry 7009866

Structure parameters

• Formula: C35 H43 Cl2 F3 O3 P2 Pd S
• Calculated formula: C35 H43 Cl2 F3 O3 P2 Pd S
• SMILES: [Pd]123([P]4([C@H](C)CC[C@H]4C)c4ccccc4[P]42[C@H](C)CC[C@H]4C)[CH](=[CH]1C3c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-].C(Cl)Cl
• Title of publication: Allyl, olefin, aryl and alkyl organometallic palladium complexes of 1,2-bis[(2R,5R)-2,5-dimethylphospholanyl]benzene
• Authors of publication: Drago, Daniela; Pregosin, Paul S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3191
• a: 13.0798 ± 0.0003 Å
• b: 11.432 ± 0.0003 Å
• c: 13.2985 ± 0.0004 Å
• α: 90°
• β: 106.394 ± 0.001°
• γ: 90°
• Cell volume: 1907.66 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No