Information card for entry 7708034

Structure parameters

• Formula: C19 H11 O10 P Se W2
• Calculated formula: C19 H11 O10 P Se W2
• SMILES: [W](P([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Se]c1c(cc(cc1C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of the pentelidene complexes [Cp*E{W(CO)₅}₂] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.
• Authors of publication: Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12648 - 12654
• a: 9.619 ± 0.0001 Å
• b: 15.3701 ± 0.0002 Å
• c: 18.5803 ± 0.0003 Å
• α: 66.543 ± 0.001°
• β: 78.316 ± 0.001°
• γ: 72.375 ± 0.001°
• Cell volume: 2391.11 ± 0.06 ų
• Cell temperature: 123 ± 0.14 K
• Ambient diffraction temperature: 123 ± 0.14 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: 0.0323
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No