Information card for entry 4085454

Structure parameters

• Chemical name: Decacarbonyl-μ-(4-bromophenyl-di-(4-(ethoxy-methylidene)-phenyl)-amino)- di-tungsten
• Formula: C34 H22 Br N O12 W2
• Calculated formula: C34 H22 Br N O12 W2
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(N(c2ccc(C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)cc2)c2ccc(Br)cc2)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: 19.5309 ± 0.0013 Å
• b: 22.5776 ± 0.0015 Å
• c: 7.9946 ± 0.0005 Å
• α: 90°
• β: 90.262 ± 0.002°
• γ: 90°
• Cell volume: 3525.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No