Information card for entry 2201506

Structure parameters

• Chemical name: Ammine[2-hydroxy-1-naphthaldehyde 4-piperidylthiosemicarbazonato]nickel(II)
• Formula: C17 H20 N4 Ni O S
• Calculated formula: C17 H20 N4 Ni O S
• SMILES: [Ni]12(Oc3c(c4ccccc4cc3)C=[N]2N=C(S1)N1CCCCC1)[NH3]
• Title of publication: Ammine[2-hydroxy-1-naphthaldehyde 4-piperidylthiosemicarbazonato]nickel(II)
• Authors of publication: Valdés-Martínez, Jesús; Hernández-Ortega, Simón; Bautista Jimenez, Victor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m710 - m711
• a: 9.424 ± 0.001 Å
• b: 9.482 ± 0.001 Å
• c: 9.668 ± 0.001 Å
• α: 97.08°
• β: 93.7°
• γ: 93.36°
• Cell volume: 853.61 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes