Information card for entry 1519706

Structure parameters

• Formula: C25 H36 Br P2 Pd
• Calculated formula: C25 H36 Br P2 Pd
• SMILES: [Pd]12(=C(c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)Br
• 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: 12.5686 ± 0.0012 Å
• b: 13.9781 ± 0.0013 Å
• c: 14.9939 ± 0.0014 Å
• α: 90°
• β: 97.33 ± 0.0018°
• γ: 90°
• Cell volume: 2612.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No