Information card for entry 2202012

Structure parameters

• Formula: C2 H4 N2 Ni S4
• Calculated formula: C2 H4 N2 Ni S4
• SMILES: [Ni]12(SC(=[S]2)N)SC(=[S]1)N
• Title of publication: Redetermination of nickel bis(dithiocarbamate) at 100K
• Authors of publication: Santos Jr, Sauli; Guilardi, Silvana; Resende, Jackson A. L. C.; Rubinger, Mayura M. M.; Oliveira, Marcelo R. L.; Ellena, Javier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m77 - m79
• a: 7.131 ± 0.0004 Å
• b: 12.917 ± 0.0008 Å
• c: 10.959 ± 0.0005 Å
• α: 90°
• β: 130.293 ± 0.003°
• γ: 90°
• Cell volume: 769.95 ± 0.08 ų
• Cell temperature: 100 ± 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 significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes