Information card for entry 7108358

Structure parameters

• Formula: C59 H56 Cl F6 N2 O P3 Pd
• Calculated formula: C59 H56 Cl F6 N2 O P3 Pd
• SMILES: c1cc(cc2Oc3cc(ccc3C(c12)=[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1)N1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of new cyclic aromatic carbene ligands bearing remote amino groups and their palladium(II) complexes
• Authors of publication: Shun Sugawara; Satoshi Kojima; Yohsuke Yamamoto
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9735
• a: 13.4314 ± 0.0018 Å
• b: 23.977 ± 0.003 Å
• c: 28.786 ± 0.004 Å
• α: 99.891 ± 0.002°
• β: 96.29 ± 0.002°
• γ: 105.059 ± 0.002°
• Cell volume: 8702 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No