Information card for entry 4349585

Structure parameters

• Formula: C16 H20 Ni S6
• Calculated formula: C16 H20 Ni S6
• Title of publication: Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms
• Authors of publication: Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 270
• a: 6.191 ± 0.0002 Å
• b: 29.9727 ± 0.0009 Å
• c: 10.4844 ± 0.0003 Å
• α: 90°
• β: 96.24 ± 0.002°
• γ: 90°
• Cell volume: 1933.97 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No