Information card for entry 7118768

Structure parameters

• Formula: C28 H23 Cl N O2 P Pd
• Calculated formula: C28 H23 Cl N O2 P Pd
• SMILES: [Pd]12([C@@H]([C@@H](/C=C/c3ccccc3)P(c3ccccc3)(c3ccccc3)=[O]2)C(=O)c2cccc[n]12)Cl
• Title of publication: The synthesis and efficient one-pot catalytic "self-breeding" of asymmetrical NC(sp(3))E-hybridised pincer complexes.
• Authors of publication: Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4211 - 4214
• a: 8.4079 ± 0.0004 Å
• b: 12.0255 ± 0.0006 Å
• c: 23.7756 ± 0.0012 Å
• α: 90°
• β: 90.682 ± 0.003°
• γ: 90°
• Cell volume: 2403.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No