Information card for entry 4072017

Structure parameters

• Formula: C23 H26 Cl2 N2 O Pt Si
• Calculated formula: C23 H26 Cl2 N2 O Pt Si
• SMILES: [Pt]1(N(C(=CC(=[N]1c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1)(C#[O])C[Si](C)(C)C=C
• Title of publication: Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling
• Authors of publication: West, Nathan M.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5252
• a: 12.6224 ± 0.0005 Å
• b: 9.555 ± 0.0004 Å
• c: 20.1223 ± 0.0008 Å
• α: 90°
• β: 91.486 ± 0.002°
• γ: 90°
• Cell volume: 2426.07 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No