Information card for entry 7030620

Structure parameters

• Formula: C28 H25 Cl N O4 P Pd
• Calculated formula: C28 H25 Cl N O4 P Pd
• SMILES: [Pd]1(C(C(=O)OC)=C(C)C(=O)OC)(Cl)[P](c2cccc3ccc[n]1c23)(c1ccccc1)c1ccccc1
• Title of publication: Substitution reactions between bis-chelate ligands in palladium(ii) alkenyl complexes: an unusual way to form unstable trans-P complexes. A study on the isomerization mechanism
• Authors of publication: Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Santo, Claudio; Dolmella, Alessandro
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9475 - 9485
• a: 9.279 ± 0.002 Å
• b: 17.499 ± 0.004 Å
• c: 16.897 ± 0.003 Å
• α: 90°
• β: 104.62 ± 0.03°
• γ: 90°
• Cell volume: 2654.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.317
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Duplicate of: 7002694
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No