Information card for entry 2225362

Structure parameters

• Chemical name: {5-Methoxy-2-[(2-morpholinoethyl)iminomethyl]phenolato}(thiocyanato-κ<i>N</i>)nickel(II)
• Formula: C15 H19 N3 Ni O3 S
• Calculated formula: C15 H19 N3 Ni O3 S
• SMILES: [Ni]12(Oc3c(ccc(OC)c3)C=[N]1CC[N]12CCOCC1)N=C=S
• Title of publication: {5-Methoxy-2-[(2-morpholinoethyl)iminomethyl]phenolato}(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Liu, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m289
• a: 12.3983 ± 0.0018 Å
• b: 11.8202 ± 0.0017 Å
• c: 12.2913 ± 0.0018 Å
• α: 90°
• β: 114.756 ± 0.002°
• γ: 90°
• Cell volume: 1635.8 ± 0.4 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: 0.0513
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes