Information card for entry 1507288

Structure parameters

• Formula: C35 H38 Cl N3 Pd
• Calculated formula: C35 H38 Cl N3 Pd
• SMILES: [Pd]1(Cl)([N](c2c(c3c1cccc3)cccc2)(C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C
• Title of publication: Synthesis, characterization, and catalytic activity of N-heterocyclic carbene (NHC) palladacycle complexes.
• Authors of publication: Viciu, Mihai S.; Kelly, 3rd, Roy A; Stevens, Edwin D.; Naud, Frédéric; Studer, Martin; Nolan, Steven P.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1479 - 1482
• a: 36.834 ± 0.01 Å
• b: 12.576 ± 0.003 Å
• c: 14.084 ± 0.004 Å
• α: 90°
• β: 106.186 ± 0.005°
• γ: 90°
• Cell volume: 6265 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No