Information card for entry 7012623

Structure parameters

• Formula: C26 H38 Cl N2 O5 P Pd
• Calculated formula: C26 H38 Cl N2 O5 P Pd
• SMILES: [Pd]1([P](OC(C2=NC(C)(C)CO2)(C)C)(OC(C2=[N]1C(CO2)(C)C)(C)C)c1ccccc1)(Cl)C(=O)CC=C
• 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: 14.643 ± 0.002 Å
• b: 10.97 ± 0.002 Å
• c: 18.216 ± 0.003 Å
• α: 90 ± 0.001°
• β: 97.017 ± 0.005°
• γ: 90 ± 0.001°
• Cell volume: 2904.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No