Information card for entry 2206900

Structure parameters

• Chemical name: {1-[2-(Dimethylamino)ethyliminomethyl]-2-naphthalato}thiocyanatonickel(II)
• Formula: C16 H17 N3 Ni O S
• Calculated formula: C16 H17 N3 Ni O S
• SMILES: [Ni]12([N](=Cc3c(O1)ccc1ccccc31)CC[N]2(C)C)N=C=S
• Title of publication: {1-[2-(Dimethylamino)ethyliminomethyl]-2-naphtholato}thiocyanatonickel(II)
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1963 - m1964
• a: 8.413 ± 0.002 Å
• b: 6.167 ± 0.002 Å
• c: 30.683 ± 0.006 Å
• α: 90°
• β: 93.04 ± 0.03°
• γ: 90°
• Cell volume: 1589.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes