Information card for entry 7040822

Structure parameters

• Chemical name: Bis(tricyclohexylphoshine)platinum(eta3-allyl) 2,3,5,6-tetrafluoro-4-oxido-pyridine
• Formula: C44 H71 F4 N O P2 Pt
• Calculated formula: C44 H71 F4 N O P2 Pt
• Title of publication: Platinum(0)-mediated C-O bond activation of ethers via an SN2 mechanism.
• Authors of publication: Ortuño, Manuel A; Jasim, Nasarella A.; Whitwood, Adrian C.; Lledós, Agustí; Perutz, Robin N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18842 - 18850
• a: 15.67024 ± 0.0002 Å
• b: 17.605 ± 0.00017 Å
• c: 16.44506 ± 0.00019 Å
• α: 90°
• β: 110.467 ± 0.0014°
• γ: 90°
• Cell volume: 4250.39 ± 0.09 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No