Information card for entry 4087149

Structure parameters

• Formula: C45 H54 P2 Pt
• Calculated formula: C45 H54 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)=C(c1ccc(cc1)C)c1ccc(cc1)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: 14.9955 ± 0.001 Å
• b: 14.4043 ± 0.0009 Å
• c: 18.4309 ± 0.0012 Å
• α: 90°
• β: 103.379 ± 0.001°
• γ: 90°
• Cell volume: 3873 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No