Information card for entry 7012622

Structure parameters

• Formula: C23 H29 F6 N O2 P2 Pd
• Calculated formula: C23 H29 F6 N O2 P2 Pd
• SMILES: [Pd]123([P](OC(C)(C)C4OCC([N]1=4)(C)C)(c1ccccc1)c1ccccc1)C[CH]3=[CH2]2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Monohapto-allyl Pd(ii) complexes with bidentate hybrid P,N ligandsElectronic supplementary information (ESI) available: preparations and selected spectroscopic data for 1 and 4‒6. See http://www.rsc.org/suppdata/dt/b2/b212393m/
• Authors of publication: Braunstein, Pierre; Zhang, Jing; Welter, Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 507
• a: 15.136 ± 0.005 Å
• b: 17.392 ± 0.005 Å
• c: 20.248 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5330 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No