Information card for entry 2203567

Structure parameters

• Chemical name: catena-Poly[[[2-(2-pyridinyl)-4,4,5,5-tetramethylimidazoline-1- oxyl]thiocyanatonickel(II)]-μ-thiocyanato]
• Formula: C14 H16 N5 Ni O S2
• Calculated formula: C14 H16 N5 Ni O S2
• SMILES: [Ni]1([N]2=C([N](=O)C(C)(C)C2(C)C)c2[n]1cccc2)(N=C=S)SC#[N][Ni]1([N]2=C([N](=O)C(C)(C)C2(C)C)c2[n]1cccc2)(N=C=S)SC#N
• Title of publication: A one-dimensional polymeric nickel(II) complex of an imino nitroxide radical with thiocyanate bridges
• Authors of publication: Wang, Shu-Ping; Gao, Dong-Zhao; Liao, Dai-Zheng; Jiang, Zong-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m682 - m684
• a: 8.364 ± 0.004 Å
• b: 9.463 ± 0.005 Å
• c: 22.411 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes