Information card for entry 7032047

Structure parameters

• Formula: C32 H56 Cl5 N3 O4 Pd
• Calculated formula: C28 H36 Cl5 N3 O2 Pd
• SMILES: C1CC[C@@H](C(=O)OC(C)(C)C)N1C(=[Pd](C#[N]c1c(cccc1C)C)(Cl)Cl)Nc1c(cccc1C)C.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: 12.7792 ± 0.0007 Å
• b: 16.8591 ± 0.0009 Å
• c: 17.8453 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3844.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No