Information card for entry 4077755

Structure parameters

• Formula: C17 H27 O8 P W2
• Calculated formula: C17 H27 O8 P W2
• SMILES: [W](P=[W](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 12.201 ± 0.002 Å
• b: 10.034 ± 0.002 Å
• c: 20.883 ± 0.004 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 2547.4 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.0853
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No