Information card for entry 4077528

Structure parameters

• Formula: C34.5 H34 As4 O11 W5
• Calculated formula: C35 H34 As4 O11 W5
• SMILES: [W]12([As]3[W]45678([As]9[W]([As]1[W]139%10%11%12[c]3([c]1([c]%10([c]%11([c]3%12C)C)C)C)C)([As]27[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]6([c]81C)C)C)C)C)(C#[O])(C#[O])C#[O].c1ccccc1C
• 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: 17.402 ± 0.004 Å
• b: 14.307 ± 0.003 Å
• c: 18.855 ± 0.004 Å
• α: 90°
• β: 116.15 ± 0.03°
• γ: 90°
• Cell volume: 4213.8 ± 1.9 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No