Information card for entry 2214907

Structure parameters

• Chemical name: <i>trans</i>-Bis[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato-\ κ^2^<i>N</i>,<i>O</i>^1^]nickel(II)
• Formula: C22 H24 N2 Ni O4
• Calculated formula: C22 H24 N2 Ni O4
• SMILES: c12ccccc1C1=[N]([Ni]3(O2)[N]2=C(c4c(cccc4)O3)OC[C@@H]2CC)[C@@H](CO1)CC
• Title of publication: <i>trans</i>-Bis[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^]nickel(II)
• Authors of publication: Zhang, Yan; Liu, Tian-Fu; Xu, Wen-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2231 - m2231
• a: 6.8507 ± 0.0008 Å
• b: 14.2231 ± 0.0016 Å
• c: 10.4333 ± 0.0011 Å
• α: 90°
• β: 94.978 ± 0.001°
• γ: 90°
• Cell volume: 1012.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes