Information card for entry 4084928

Structure parameters

• Common name: jonag31
• Chemical name: Pt(dtbpe)(CF3CCCF3)
• Formula: C22 H40 F6 P2 Pt
• Calculated formula: C22 H40 F6 P2 Pt
• SMILES: [Pt]12([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)[C](#[C]2C(F)(F)F)C(F)(F)F
• Title of publication: Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes
• Authors of publication: Gunay, Ahmet; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2233
• a: 10.218 ± 0.003 Å
• b: 11.035 ± 0.003 Å
• c: 12.373 ± 0.003 Å
• α: 109.409 ± 0.003°
• β: 91.918 ± 0.004°
• γ: 96.15 ± 0.004°
• Cell volume: 1304.7 ± 0.6 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0288
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No