Information card for entry 2012903

Structure parameters

• Formula: C48 H72 Co2 N10 S8
• Calculated formula: C48 H72 Co2 N10 S8
• SMILES: C1(=C(S[Co]23([S]1[Co]14([S]2C(=C(S1)C#N)C#N)SC(=C(C#N)S4)C#N)SC(=C(C#N)S3)C#N)C#N)C#N.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) bis(μ-1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)]
• Authors of publication: Mochida, Tomoyuki; Takazawa, Kousuke; Matsushita, Michio M.; Sugawara, Tadashi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m431 - m433
• a: 29.457 ± 0.004 Å
• b: 14.06 ± 0.002 Å
• c: 14.703 ± 0.002 Å
• α: 90°
• β: 112.518 ± 0.005°
• γ: 90°
• Cell volume: 5625.2 ± 1.4 ų
• Cell temperature: 90 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: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes