Information card for entry 1556434

Structure parameters

• Formula: C9 H18 Cl Ga N2 S2
• Calculated formula: C9 H18 Cl Ga N2 S2
• SMILES: [Ga]123(Cl)SCC[N]42CC[N]3(CCC4)CCS1
• 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: 7.3341 ± 0.0005 Å
• b: 7.6637 ± 0.0005 Å
• c: 12.6658 ± 0.0009 Å
• α: 94.557 ± 0.002°
• β: 98.228 ± 0.002°
• γ: 114.796 ± 0.002°
• Cell volume: 631.86 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No