Information card for entry 7053308

Structure parameters

• Common name: cis-dicarbonyl-2kappa$2!C-dichloro-1kappa,2kappa-(mu-(2-(1- piperidinyl)thiazol-5-yl)methylidyne-1kappaC$1!:2kappaC$1!) bis(pyridine-2kappaN)goldtungsten(Au—W) hemi-tetrahydrofuran solvate
• Chemical name: cis-dicarbonyl-2κ^2^C-dichloro-1κ,2κ-{μ-[2-(1- piperidinyl)thiazol-5-yl]methylidyne-1κC^1^:2κC^1^} bis(pyridine-2κN)goldtungsten(Au—W) hemi-tetrahydrofuran solvate
• Formula: C23 H25 Au Cl2 N4 O2.5 S W
• Calculated formula: C21 H21 Au Cl2 N4 O2 S W
• SMILES: [Au]12([W](Cl)([n]3ccccc3)([n]3ccccc3)(=C2c2cnc(s12)N1CCCCC1)(C#[O])C#[O])Cl
• Title of publication: Fischer-type tungsten acyl (carbeniate), carbene and carbyne complexes bearing C5-attached thiazolyl substituents: interaction with gold(i) fragments
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 458
• a: 10.603 ± 0.0014 Å
• b: 11.8806 ± 0.0016 Å
• c: 11.932 ± 0.0016 Å
• α: 70.039 ± 0.002°
• β: 83.042 ± 0.002°
• γ: 69.143 ± 0.002°
• Cell volume: 1320.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No