Information card for entry 7119543

Structure parameters

• Formula: C36 H66 O2 P2 Sn W
• Calculated formula: C36 H66 O2 P2 Sn W
• SMILES: [W]1([Sn](C)(C)C)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(#CC(C)(C)C)(C#[O])C#[O]
• Title of publication: An anionic nucleophilic d(4) carbyne complex.
• Authors of publication: Hill, Anthony F.; Kong, Richard Y.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2032 - 2035
• a: 9.1646 ± 0.0003 Å
• b: 12.5454 ± 0.0005 Å
• c: 17.8461 ± 0.0003 Å
• α: 87.399 ± 0.002°
• β: 77.495 ± 0.002°
• γ: 75.6 ± 0.003°
• Cell volume: 1940.14 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No