Information card for entry 4071780

Structure parameters

• Formula: C29 H33 Cl8 P Pt
• Calculated formula: C29 H33 Cl8 P Pt
• SMILES: [Pt]12([P](c3c(cccc3)[C]1(=[CH2]2)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Oxidative Dehydrogenation of Tris(o-isopropylphenyl)phosphines by Platinum Complexes
• Authors of publication: Baber, Angharad; Fan, Cheng; Norman, David W.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5906
• a: 11.281 ± 0.003 Å
• b: 12.104 ± 0.002 Å
• c: 13.133 ± 0.003 Å
• α: 89.331 ± 0.015°
• β: 76.72 ± 0.02°
• γ: 75.78 ± 0.019°
• Cell volume: 1689.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No