Information card for entry 4111020

Structure parameters

• Formula: C42 H49 O4 Os P Pt Sn
• Calculated formula: C42 H49 O4 Os P Pt Sn
• SMILES: [Pt]1([Os]2([Sn](c3ccccc3)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])(C#[O])[CH2]=[C]12c1ccccc1)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond
• Authors of publication: Richard D. Adams; Burjor Captain; Lei Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13672 - 13673
• a: 10.3198 ± 0.0004 Å
• b: 12.1676 ± 0.0005 Å
• c: 18.4225 ± 0.0008 Å
• α: 78.148 ± 0.001°
• β: 78.187 ± 0.001°
• γ: 65.989 ± 0.001°
• Cell volume: 2048.97 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No