Information card for entry 1556436

Structure parameters

• Formula: C14 H18 Cl Ga N2 O5 S2 W
• Calculated formula: C14 H18 Cl Ga N2 O5 S2 W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[S]1CC[N]23CCC[N]4(CC2)CC[S][Ga]134Cl
• Title of publication: Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy
• Authors of publication: Yang, X.; Lunsford, A.; Darensbourg, M.Y.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 115
• a: 8.2266 ± 0.0011 Å
• b: 19.245 ± 0.002 Å
• c: 12.8581 ± 0.0018 Å
• α: 90°
• β: 95.932 ± 0.008°
• γ: 90°
• Cell volume: 2024.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No