Information card for entry 1551531

Structure parameters

• Formula: C18 H18 N4 O2 Zn
• Calculated formula: C18 H18 N4 O2 Zn
• SMILES: [Zn]12(Oc3ccccc3C3NCC[N]1=3)Oc1ccccc1C1NCC[N]2=1
• Title of publication: Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)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: 15
• a: 12.0318 ± 0.0015 Å
• b: 7.6706 ± 0.001 Å
• c: 18.617 ± 0.002 Å
• α: 90°
• β: 105.089 ± 0.002°
• γ: 90°
• Cell volume: 1658.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No