Information card for entry 4119113

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)([CH]1=[CH]2c1ccccc1)(C#[O])(C#[O])C#[O])([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: Adams, Richard D.; Captain, Burjor; Zhu, Lei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 42
• Pages of publication: 13672 - 13673
• a: 15.261 ± 0.0015 Å
• b: 15.4146 ± 0.0015 Å
• c: 21.044 ± 0.002 Å
• α: 76.544 ± 0.002°
• β: 73.541 ± 0.002°
• γ: 76.415 ± 0.002°
• Cell volume: 4540.9 ± 0.8 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: 0.0624
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4111018
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No