Information card for entry 4349581

Structure parameters

• Formula: C40 H40 Ni P S6
• Calculated formula: C40 H40 Ni P 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: 20.478 ± 0.0004 Å
• b: 18.0224 ± 0.0004 Å
• c: 11.1559 ± 0.0002 Å
• α: 90°
• β: 108.495 ± 0.001°
• γ: 90°
• Cell volume: 3904.58 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No