Information card for entry 4077525

Structure parameters

• Formula: C20 H15 As O10 W2
• Calculated formula: C20 H15 As O10 W2
• SMILES: [As]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Novel Approach to Intermediates Containing a Tungsten−Arsenic Triple Bond†
• Authors of publication: Johnson, Brian P.; Schiffer, Michael; Scheer, Manfred
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3404
• a: 15.387 ± 0.002 Å
• b: 18.193 ± 0.002 Å
• c: 17.997 ± 0.002 Å
• α: 90°
• β: 103.34 ± 0.02°
• γ: 90°
• Cell volume: 4902.1 ± 1.1 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No