Information card for entry 4087148

Structure parameters

• Formula: C30 H40 P2 Pt
• Calculated formula: C30 H40 P2 Pt
• SMILES: [Pt]1[P](c2c(c3c(cccc3)c3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C
• 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: 10.4152 ± 0.0016 Å
• b: 17.115 ± 0.003 Å
• c: 17.993 ± 0.003 Å
• α: 69.156 ± 0.004°
• β: 89.994 ± 0.004°
• γ: 80.636 ± 0.004°
• Cell volume: 2951.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No