Information card for entry 4109657

Structure parameters

• Common name: jonag18
• Chemical name: Ni(dippe)(C6H4F)(CCC6H4F), 6
• Formula: C32 H48 F2 P2 Pt
• Calculated formula: C32 H48 F2 P2 Pt
• SMILES: [Pt]1([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)(C#Cc1ccc(F)cc1)c1ccc(F)cc1
• Title of publication: Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation
• Authors of publication: Ahmet Gunay; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8729 - 8735
• a: 11.165 ± 0.003 Å
• b: 16.904 ± 0.004 Å
• c: 17.303 ± 0.004 Å
• α: 83.378 ± 0.004°
• β: 79.094 ± 0.004°
• γ: 80.893 ± 0.004°
• Cell volume: 3153.9 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No