Information card for entry 2215321

Structure parameters

• Chemical name: {1-[(2-Morpholin-4-ylethylimino-κ^2^N,N')methyl]naphthalen-2-olato-κO} (thiocyanato-N)nickel(II)
• Formula: C18 H19 N3 Ni O2 S
• Calculated formula: C18 H19 N3 Ni O2 S
• SMILES: [Ni]12(Oc3c(c4c(cc3)cccc4)C=[N]1CC[N]12CCOCC1)N=C=S
• Title of publication: {1-[(2-Morpholin-4-ylethylimino-κ^2^<i>N</i>,<i>N</i>')methyl]naphthalen-2-olato-κ<i>O</i>}(thiocyanato-<i>N</i>)nickel(II)
• Authors of publication: Yun-Peng Diao; Yuan-Zhi Wang; Ming-Dong Wang; Kun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2494 - m2494
• a: 12.648 ± 0.003 Å
• b: 12.647 ± 0.003 Å
• c: 21.915 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3505.5 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes