Information card for entry 4109660

Structure parameters

• Common name: jonag14
• Chemical name: Ni(dippe)(C6H4F-CC-C6H4Me) , 9
• Formula: C33 H51 F P2 Pt
• Calculated formula: C33 H51 F 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]2c1ccc(cc1)C)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: 31.7594 ± 0.0016 Å
• b: 18.1394 ± 0.0009 Å
• c: 16.7047 ± 0.0008 Å
• α: 90°
• β: 95.896 ± 0.001°
• γ: 90°
• Cell volume: 9572.6 ± 0.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No