Information card for entry 2214122

Structure parameters

• Chemical name: {2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^N,N',O}(thiocyanato- κN)nickel(II)
• Formula: C15 H19 N3 Ni O S
• Calculated formula: C15 H19 N3 Ni O S
• SMILES: [Ni]12([N](=Cc3c(O1)cccc3)CC[N]12CCCCC1)N=C=S
• Title of publication: {2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Shou-Xing Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1946 - m1946
• a: 12.997 ± 0.003 Å
• b: 12.525 ± 0.003 Å
• c: 19.386 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes