Information card for entry 8000013

Structure parameters

• Formula: C22 H14 N5 Ni S4
• Calculated formula: C22 H14 N5 Ni S4
• Title of publication: Peculiar Magnetic Transition Behaviour Around 208 K in One-dimensional Nickel(III) Chain Complex [1-(4'-Vinylbenzyl)pyridinium][Ni(mnt)2] (mnt2‒ =Maleonitriledithiolate)
• Authors of publication: Dongbin Dang; Chunlin Ni; Yan Bai; Zhengfang Tian; Zhaoping Ni; Lili Wen; Qingjin Meng; Song Gao
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 680
• a: 12.168 ± 0.003 Å
• b: 27.046 ± 0.007 Å
• c: 7.354 ± 0.002 Å
• α: 90°
• β: 103 ± 0.01°
• γ: 90°
• Cell volume: 2358.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No