Information card for entry 4070611

Structure parameters

• Common name: Pd hydrazobenzene dicarbene dichloride
• Formula: C28 H20 Cl2 F6 N4 Pd
• Calculated formula: C28 H20 Cl2 F6 N4 Pd
• SMILES: [Pd]1(=C(N(N(C=1Nc1ccc(cc1)C(F)(F)F)c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1)(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: 9.0014 ± 0.0005 Å
• b: 11.4002 ± 0.0006 Å
• c: 14.646 ± 0.0007 Å
• α: 110.666 ± 0.003°
• β: 93.013 ± 0.003°
• γ: 100.034 ± 0.003°
• Cell volume: 1374.07 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No