Information card for entry 1563169

Structure parameters

• Formula: C21 H26 N4 O5 Zn
• Calculated formula: C21 H26 N4 O5 Zn
• SMILES: [Zn]12(Oc3c(cccc3C3NCC[N]1=3)OC)Oc1c(cccc1C1NCC[N]2=1)OC.OC
• Title of publication: Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)-6-methoxyphenolato]zinc(II)
• Authors of publication: MITSUHASHI, Ryoji
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2021
• Journal volume: 37
• Journal issue: 0
• Pages of publication: 25 - 26
• a: 14.6485 ± 0.0005 Å
• b: 19.2428 ± 0.0006 Å
• c: 7.5851 ± 0.0003 Å
• α: 90°
• β: 104.253 ± 0.004°
• γ: 90°
• Cell volume: 2072.26 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No