Information card for entry 1562836

Structure parameters

• Chemical name: xstr1294
• Formula: C16.5 H29 N3 O S Zn
• Calculated formula: C16.5 H29 N3 O 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: 10.7219 ± 0.0001 Å
• b: 10.9998 ± 0.0001 Å
• c: 17.8205 ± 0.0002 Å
• α: 90°
• β: 104.193 ± 0.001°
• γ: 90°
• Cell volume: 2037.57 ± 0.04 ų
• Cell temperature: 151 ± 1 K
• Ambient diffraction temperature: 151 ± 1 K
• Number of distinct elements: 6
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No