Information card for entry 4070610

Structure parameters

• Common name: Pd hydrazobenzene p-CF3-phenylNC precursor
• Formula: C28 H20 Cl2 F6 N4 Pd
• Calculated formula: C28 H20 Cl2 F6 N4 Pd
• SMILES: [Pd](=C(N(Nc1ccccc1)c1ccccc1)Nc1ccc(cc1)C(F)(F)F)(C#[N]c1ccc(cc1)C(F)(F)F)(Cl)Cl
• Title of publication: Reversible Chelate Ring Opening of a Sterically Crowded Palladium Bis(acyclic diaminocarbene) Complex
• Authors of publication: Wanniarachchi, Yoshitha A.; Slaughter, LeGrande M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1055
• a: 10.457 ± 0.0008 Å
• b: 22.908 ± 0.002 Å
• c: 12.7945 ± 0.0011 Å
• α: 90°
• β: 93.873 ± 0.005°
• γ: 90°
• Cell volume: 3057.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No