Information card for entry 7032046

Structure parameters

• Formula: C28 H31 Cl2 N3 O3 Pd
• Calculated formula: C28 H31 Cl2 N3 O3 Pd
• SMILES: [C@H](Cc1ccc(cc1)O)(C(=O)OC)NC(=[Pd](C#[N]c1c(cccc1C)C)(Cl)Cl)Nc1c(cccc1C)C
• 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: 14.3881 ± 0.0004 Å
• b: 17.1311 ± 0.0006 Å
• c: 26.0983 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6432.8 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.684
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No