Information card for entry 2209377

Structure parameters

• Chemical name: {1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)
• Formula: C15 H15 Cu N3 O S
• Calculated formula: C15 H15 Cu N3 O S
• SMILES: [Cu]12(Oc3c(c4c(cc3)cccc4)C=[N]1CC[NH]2C)N=C=S
• Title of publication: {1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)
• Authors of publication: Hou, Han-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1533 - m1534
• a: 10.168 ± 0.001 Å
• b: 13.237 ± 0.001 Å
• c: 22.301 ± 0.002 Å
• α: 90°
• β: 93.679 ± 0.001°
• γ: 90°
• Cell volume: 2995.4 ± 0.5 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: 0.0656
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No