Information card for entry 1566065

Structure parameters

• Formula: C16 H42.63 N8 O19.32 Zn2
• Calculated formula: C16 H42.6288 N8 O19.3144 Zn2
• Title of publication: Synthesis, characterization and crystal structure of a glycylglycinate chelate of zinc(II)
• Authors of publication: Case, Derek R.; Brennessel, William W.; Zubieta, Jon; Doyle, Robert P.
• Journal of publication: Results in Chemistry
• Year of publication: 2022
• Journal volume: 4
• Pages of publication: 100274
• a: 7.3742 ± 0.0002 Å
• b: 10.054 ± 0.0002 Å
• c: 10.7563 ± 0.0002 Å
• α: 105.577 ± 0.002°
• β: 91.084 ± 0.002°
• γ: 102.676 ± 0.002°
• Cell volume: 746.88 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No