Information card for entry 4085453

Structure parameters

• Chemical name: Pentacarbonyl-(ethoxy-(4-di(4-bromophenyl)amino-phenyl)-methylidene)- tungsten
• Formula: C26 H17 Br2 N O6 W
• Calculated formula: C26 H17 Br2 N O6 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)Br
• 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: 51.9931 ± 0.0016 Å
• b: 6.41 ± 0.0002 Å
• c: 15.657 ± 0.0005 Å
• α: 90°
• β: 95.9361 ± 0.0012°
• γ: 90°
• Cell volume: 5190.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No