Information card for entry 1565840

Structure parameters

• Common name: 21011
• Formula: C22 H19 Cl5 N2 Zn
• Calculated formula: C22 H19 Cl5 N2 Zn
• Title of publication: α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos
• Authors of publication: Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1469 - 1477
• a: 23.376 ± 0.002 Å
• b: 10.6352 ± 0.0009 Å
• c: 20.2506 ± 0.0019 Å
• α: 90°
• β: 106.848 ± 0.004°
• γ: 90°
• Cell volume: 4818.4 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• 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: 0.1196
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No