Information card for entry 2211648

Structure parameters

• Chemical name: Bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenolate-κ^2^N,O]nickel(II)
• Formula: C18 H18 N4 Ni O2
• Calculated formula: C18 H18 N4 Ni O2
• SMILES: C1[N]2=C(c3c(cccc3)O[Ni]32[N]2=C(c4ccccc4O3)NCC2)NC1
• Title of publication: Bis[2-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)
• Authors of publication: He, Hong-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3537 - m3538
• a: 8.0502 ± 0.0016 Å
• b: 5.5733 ± 0.0011 Å
• c: 17.698 ± 0.004 Å
• α: 90°
• β: 94.88 ± 0.03°
• γ: 90°
• Cell volume: 791.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes