Information card for entry 2214246

Structure parameters

• Chemical name: Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)
• Formula: C18 H21 N5 Ni O
• Calculated formula: C18 H21 N5 Ni O
• SMILES: [Ni]12([N](=Cc3c(O1)ccc1ccccc31)CC[N]12CCCCC1)N=N#N
• Title of publication: Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)
• Authors of publication: Zhou, Zhi; Xiao, Zun-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2012 - m2012
• a: 7.5298 ± 0.0012 Å
• b: 13.268 ± 0.002 Å
• c: 33.912 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3388 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes