Information card for entry 4085455

Structure parameters

• Chemical name: Pentacarbonyl-(ethoxy-(5-(di-2-furylphosphine)fur-2-yl)-methylidene)- tungsten
• Formula: C20 H13 O9 P W
• Calculated formula: C20 H13 O9 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1oc(P(c2occc2)c2occc2)cc1
• Title of publication: Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine
• Authors of publication: Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 696
• a: 40.3819 ± 0.0018 Å
• b: 7.6045 ± 0.0003 Å
• c: 13.7313 ± 0.0006 Å
• α: 90°
• β: 93.651 ± 0.003°
• γ: 90°
• Cell volume: 4208.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No