Information card for entry 2228324

Structure parameters

• Chemical name: Bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato- κ<i>N</i>)nickel(II)
• Formula: C16 H18 N4 Ni O2 S2
• Calculated formula: C16 H18 N4 Ni O2 S2
• SMILES: C(=N[Ni]12([n]3c(CC[OH]1)cccc3)([n]1c(CC[OH]2)cccc1)N=C=S)=S
• Title of publication: Bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Lv, Lei; Qiu, Xiumin; Yang, Jie; Liu, Shizheng; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1587
• a: 8.7197 ± 0.0009 Å
• b: 13.8634 ± 0.0015 Å
• c: 7.8655 ± 0.0007 Å
• α: 90°
• β: 105.496 ± 0.002°
• γ: 90°
• Cell volume: 916.26 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes