Information card for entry 1551555

Structure parameters

• Formula: C18 H18 Cu N4 O2
• Calculated formula: C18 H18 Cu N4 O2
• SMILES: c12O[Cu]3([N]4=C(c2cccc1)NCC4)[N]1=C(c2c(cccc2)O3)NCC1
• Title of publication: Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]copper(II)
• Authors of publication: MITSUHASHI, Ryoji; MIYAZAKI, Yusuke; HOSOYA, Satoshi; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 11
• a: 9.2964 ± 0.0009 Å
• b: 10.4722 ± 0.001 Å
• c: 8.8271 ± 0.0009 Å
• α: 90°
• β: 112.028 ± 0.001°
• γ: 90°
• Cell volume: 796.62 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No