Information card for entry 4349587

Structure parameters

• Formula: C20 H28 Ni S6
• Calculated formula: C20 H28 Ni S6
• SMILES: c12c(c(c(s1)C(C)C)C(C)C)S[Ni]1(S2)Sc2c(S1)sc(c2C(C)C)C(C)C
• 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: 5.6359 ± 0.0002 Å
• b: 8.354 ± 0.0004 Å
• c: 12.3983 ± 0.0005 Å
• α: 97.787 ± 0.002°
• β: 97.987 ± 0.002°
• γ: 100.485 ± 0.002°
• Cell volume: 560.62 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No