Information card for entry 7058881

Structure parameters

• Formula: C8 H12 Cl N S
• Calculated formula: C8 H12 Cl N S
• Title of publication: An imidazolin-2-iminato ligand organozinc complex as a catalyst for hydroboration of organic nitriles
• Authors of publication: Das, Suman; Bhattacharjee, Jayeeta; Panda, Tarun K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16812
• a: 4.387 ± 0.0003 Å
• b: 5.6906 ± 0.0003 Å
• c: 19.2566 ± 0.0014 Å
• α: 86.981 ± 0.005°
• β: 85.06 ± 0.006°
• γ: 85.181 ± 0.005°
• Cell volume: 476.76 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No