Information card for entry 4077754

Structure parameters

• Formula: C26 H36 O14 P2 W4
• Calculated formula: C26 H36 O14 P2 W4
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])P1[W]2(OC(C)(C)C)(OC(C)(C)C)P([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W]12(OC(C)(C)C)OC(C)(C)C
• Title of publication: An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†
• Authors of publication: Scheer, Manfred; Kramkowski, Peter; Schuster, Kay
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2874
• a: 10.878 ± 0.002 Å
• b: 16.796 ± 0.003 Å
• c: 11.577 ± 0.002 Å
• α: 90°
• β: 114.83 ± 0.03°
• γ: 90°
• Cell volume: 1919.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.033
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No