Information card for entry 8107271

Structure parameters

• Formula: C20 H20 F2 N2 O4 Zn
• Calculated formula: C20 H20 F2 N2 O4 Zn
• SMILES: c12cc(ccc1C=[N]1CCOCCOCC[N]3=Cc4c(cc(cc4)F)O[Zn]13O2)F
• Title of publication: Crystal structure of {N,N′-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane-κ4 O,N,N′,O′}zinc(II), C20H20F2N2O4Zn
• Authors of publication: Zhao, Ji-Xing; Wang, Xiao-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 985 - 986
• a: 8.4062 ± 0.0002 Å
• b: 10.9987 ± 0.0003 Å
• c: 11.8247 ± 0.0003 Å
• α: 97.969 ± 0.001°
• β: 103.217 ± 0.001°
• γ: 110.601 ± 0.001°
• Cell volume: 967.04 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No