Information card for entry 4087147

Structure parameters

• Formula: C30 H40 Cl2 P2 Pd
• Calculated formula: C30 H40 Cl2 P2 Pd
• SMILES: [Pd]1([P](c2c(c3c(cccc3)c3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)(Cl)Cl
• Title of publication: An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes
• Authors of publication: Barrett, Brittany J.; Iluc, Vlad M.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 730
• a: 11.1678 ± 0.0007 Å
• b: 15.7553 ± 0.0009 Å
• c: 16.9878 ± 0.001 Å
• α: 88.891 ± 0.002°
• β: 73.797 ± 0.002°
• γ: 80.222 ± 0.002°
• Cell volume: 2827.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No