Information card for entry 1562839

Structure parameters

• Chemical name: xstr1318
• Formula: C92 H169.6 N16 S8 Zn8
• Calculated formula: C92 H169.6 N16 S8 Zn8
• 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: 27.1708 ± 0.0003 Å
• b: 8.98003 ± 0.00013 Å
• c: 58.2262 ± 0.0007 Å
• α: 90°
• β: 91.0722 ± 0.0012°
• γ: 90°
• Cell volume: 14204.4 ± 0.3 ų
• Cell temperature: 150 ± 0.4 K
• Ambient diffraction temperature: 150 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No