Information card for entry 7102063

Structure parameters

• Common name: Pd cyclohexanedicarbene dichloride
• Formula: C26 H34 Cl2 F6 N4 O2 Pd
• Calculated formula: C26 H34 Cl2 F6 N4 O2 Pd
• SMILES: [Pd]1(=C(Nc2ccc(cc2)C(F)(F)F)N(C)[C@@H]2[C@H](CCCC2)N(C=1Nc1ccc(cc1)C(F)(F)F)C)(Cl)Cl.OC.OC.[Pd]1(=C(Nc2ccc(cc2)C(F)(F)F)N(C)[C@H]2[C@@H](CCCC2)N(C=1Nc1ccc(cc1)C(F)(F)F)C)(Cl)Cl.OC.OC
• Title of publication: One-step assembly of a chiral palladium bis(acyclic diaminocarbene) complex and its unexpected oxidation to a bis(amidine) complex.
• Authors of publication: Wanniarachchi, Yoshitha A; Slaughter, LeGrande M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3294 - 3296
• a: 8.0588 ± 0.0004 Å
• b: 14.0376 ± 0.0008 Å
• c: 14.1642 ± 0.0008 Å
• α: 84.861 ± 0.004°
• β: 85.869 ± 0.004°
• γ: 74.662 ± 0.004°
• Cell volume: 1537.11 ± 0.15 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: 0.0758
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No