Information card for entry 1551533

Structure parameters

• Formula: C20 H22 N4 O2 Zn
• Calculated formula: C20 H22 N4 O2 Zn
• SMILES: c12ccccc1C1NCCC[N]=1[Zn]1(O2)[N]2=C(c3c(cccc3)O1)NCCC2
• Title of publication: Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II)
• Authors of publication: MITSUHASHI, Ryoji; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 37
• a: 13.7667 ± 0.0014 Å
• b: 11.4666 ± 0.0011 Å
• c: 12.2213 ± 0.0012 Å
• α: 90°
• β: 116.242 ± 0.002°
• γ: 90°
• Cell volume: 1730.4 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No