Information card for entry 1562837

Structure parameters

• Chemical name: xstr1205
• Formula: C11 H16 N2 S Zn
• Calculated formula: C11 H16 N2 S Zn
• Title of publication: Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides
• Authors of publication: Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.5467 ± 0.0002 Å
• b: 9.625 ± 0.0002 Å
• c: 15.3938 ± 0.0004 Å
• α: 90°
• β: 105.349 ± 0.003°
• γ: 90°
• Cell volume: 1221.16 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No