Information card for entry 7021274

Structure parameters

• Formula: C19 H13 Cl Cr N2 O3 Pd
• Calculated formula: C19 H13 Cl Cr N2 O3 Pd
• SMILES: [Pd]1([c]23[Cr]4567([c]2(c2[n]1cccc2)[cH]4[cH]5[cH]6[cH]37)(C#[O])(C#[O])C#[O])(Cl)[n]1ccccc1
• 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: 26.7584 ± 0.0005 Å
• b: 13.0677 ± 0.0002 Å
• c: 11.01544 ± 0.00019 Å
• α: 90°
• β: 104.324 ± 0.0018°
• γ: 90°
• Cell volume: 3732.03 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0316
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No