Information card for entry 1556435

Structure parameters

• Formula: C9 H18 Cl In N2 S2
• Calculated formula: C9 H18 Cl In N2 S2
• SMILES: [In]123(Cl)SCC[N]42CCC[N]3(CC4)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: 12.7424 ± 0.0006 Å
• b: 7.3373 ± 0.0003 Å
• c: 15.3561 ± 0.0007 Å
• α: 90°
• β: 114.107 ± 0.001°
• γ: 90°
• Cell volume: 1310.5 ± 0.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143.19 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: 0.0277
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No