Information card for entry 4109661

Structure parameters

• Common name: jonag17
• Chemical name: Ni(dippe)(C6H4Me)(-CC-C6H4F), 11
• Formula: C33 H51 F P2 Pt
• Calculated formula: C33 H51 F 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(cc1)C
• 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: 44.003 ± 0.003 Å
• b: 9.1458 ± 0.0007 Å
• c: 16.5713 ± 0.0013 Å
• α: 90°
• β: 106.285 ± 0.001°
• γ: 90°
• Cell volume: 6401.4 ± 0.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No