Information card for entry 4109653

Structure parameters

• Common name: jonag04
• Chemical name: Ni(dippe)(Ph)(CCPh), 2
• Formula: C32 H50 P2 Pt
• Calculated formula: C32 H50 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#Cc1ccccc1)c1ccccc1
• 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: 11.295 ± 0.0007 Å
• b: 14.0515 ± 0.0009 Å
• c: 19.2277 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3051.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0137
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No