Information card for entry 2011477

Structure parameters

• Formula: C24 H36 N5 Ni S4
• Calculated formula: C24 H36 N5 Ni S4
• SMILES: [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium bis(1,2-dimercaptoethene-1,2-dicarbonitrilato-<i>S</i>,<i>S</i>')nickel(III)
• Authors of publication: Mochida, Tomoyuki; Suzuki, Shinya; Moriyama, Hiroshi; Terao, Hiroshi; Sugawara, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1183 - 1184
• a: 30.879 ± 0.006 Å
• b: 13.793 ± 0.005 Å
• c: 15.669 ± 0.005 Å
• α: 90°
• β: 115.68 ± 0.02°
• γ: 90°
• Cell volume: 6014 ± 3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes