Information card for entry 2228778

Structure parameters

• Chemical name: Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)
• Formula: C15 H21 N5 Ni O2 S2
• Calculated formula: C15 H21 N5 Ni O2 S2
• SMILES: [Ni]12([OH2])([n]3ccccc3C(=[N]1CC[N]12CCOCC1)C)(N=C=S)N=C=S
• Title of publication: Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m108
• a: 7.1881 ± 0.0001 Å
• b: 21.9708 ± 0.0003 Å
• c: 12.1438 ± 0.0002 Å
• α: 90°
• β: 91.412 ± 0.001°
• γ: 90°
• Cell volume: 1917.27 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes