Information card for entry 7021273

Structure parameters

• Formula: C34 H24 Cl6 Cr2 N2 O10 Pd2
• Calculated formula: C34 H24 Cl6 Cr2 N2 O10 Pd2
• SMILES: c1cccc2[c]34[c]5([cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])[Pd]34([n]12)[O]=C(C)O[Pd]14([n]2ccccc2[c]24[c]51[cH]1[cH]6[cH]7[cH]2[Cr]45167(C#[O])(C#[O])C#[O])[O]=C(C)O3.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.
• Authors of publication: Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5615 - 5618
• a: 16.0719 ± 0.0003 Å
• b: 19.7859 ± 0.0002 Å
• c: 14.64 ± 0.0003 Å
• α: 90°
• β: 123.678 ± 0.003°
• γ: 90°
• Cell volume: 3874.13 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No