Information card for entry 2209862

Structure parameters

• Chemical name: {1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatonickel(II)
• Formula: C15 H15 N3 Ni O S
• Calculated formula: C15 H15 N3 Ni O S
• SMILES: [Ni]12(Oc3ccc4ccccc4c3C=[N]1CC[NH]2C)N=C=S
• Title of publication: {1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatonickel(II)
• Authors of publication: Zhu, Chuan-Gao; Wang, Feng-Wu; Wei, Yi-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1816 - m1817
• a: 10.06 ± 0.001 Å
• b: 13.387 ± 0.002 Å
• c: 22.398 ± 0.003 Å
• α: 90°
• β: 95.563 ± 0.002°
• γ: 90°
• Cell volume: 3002.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes