Information card for entry 1519709

Structure parameters

• Formula: C29 H47 P3 Pd
• Calculated formula: C29 H47 P3 Pd
• SMILES: [Pd]123([C](=[CH2]2)(c2c([P]1(C(C)C)C(C)C)cccc2)c1c([P]3(C(C)C)C(C)C)cccc1)[P](C)(C)C
• Title of publication: Palladium carbene complexes as persistent radicals
• Authors of publication: Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4570
• a: 10.3086 ± 0.0007 Å
• b: 24.0617 ± 0.0016 Å
• c: 12.5709 ± 0.0008 Å
• α: 90°
• β: 107.577 ± 0.0018°
• γ: 90°
• Cell volume: 2972.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No