Information card for entry 4074473

Structure parameters

• Formula: C34 H39 Cl2 N3 O6 Pd S3
• Calculated formula: C34 H39 Cl2 N3 O6 Pd S3
• Title of publication: Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis
• Authors of publication: Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5612
• a: 11.2912 ± 0.0008 Å
• b: 11.7993 ± 0.0009 Å
• c: 14.9326 ± 0.0011 Å
• α: 112.667 ± 0.002°
• β: 91.155 ± 0.002°
• γ: 101.052 ± 0.002°
• Cell volume: 1792 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No