Information card for entry 2014363

Structure parameters

• Chemical name: catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]
• Formula: C11 H14 Cl N5 Ni O
• Calculated formula: C11 H14 Cl N5 Ni O
• SMILES: [Ni]12([N](=Cc3c(O1)ccc(Cl)c3)CC[N]2(C)C)N=N#N
• Title of publication: Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]
• Authors of publication: Sun, Yu-Xi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m109 - m111
• a: 6.75 ± 0.001 Å
• b: 19.893 ± 0.002 Å
• c: 20.585 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2764.1 ± 0.6 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: 0.0388
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No