Information card for entry 7032048

Structure parameters

• Formula: C26 H30 Cl7 N3 O2 Pd
• Calculated formula: C26 H30 Cl7 N3 O2 Pd
• SMILES: C(=Nc1c(cccc1C)Cl)=[Pd](=C(Nc1c(cccc1C)Cl)N1CCC[C@H]1C(=O)OC(C)(C)C)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.
• Authors of publication: Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15861 - 15871
• a: 24.1788 ± 0.0006 Å
• b: 12.3145 ± 0.0004 Å
• c: 24.91 ± 0.0006 Å
• α: 90°
• β: 104.494 ± 0.001°
• γ: 90°
• Cell volume: 7180.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No