Information card for entry 4087152

Structure parameters

• Formula: C42 H52 P2 Pt Si
• Calculated formula: C42 H52 P2 Pt Si
• SMILES: [PtH]1([P](c2c(c3c(cccc3)c3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)[SiH](c1ccccc1)c1ccccc1
• 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: 17.0851 ± 0.0007 Å
• b: 18.5952 ± 0.0008 Å
• c: 23.7353 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7540.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0672
• 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: Yes
• Has Fobs: No