Information card for entry 4071781

Structure parameters

• Formula: C30 H35 Cl4 O3 P Pt
• Calculated formula: C30 H35 Cl4 O3 P Pt
• SMILES: [Pt]12([P](c3c(cc(OC)cc3)[C]1(=[CH2]2)C)(c1c(cc(OC)c(c1)Cl)C(C)C)c1c(cc(OC)c(Cl)c1)C(C)C)(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: 13.348 ± 0.003 Å
• b: 15.743 ± 0.003 Å
• c: 15.33 ± 0.003 Å
• α: 90°
• β: 109.57 ± 0.03°
• γ: 90°
• Cell volume: 3035.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1131
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No