Information card for entry 4333461

Structure parameters

• Formula: C56 H46 N2 Ni P2 S8
• Calculated formula: C56 H46 N2 Ni P2 S8
• Title of publication: Influence of the Thiazole Backbone on the Structural, Redox, and Optical Properties of Dithiolene and Diselenolene Complexes
• Authors of publication: Eid, Samar; Fourmigué, Marc; Roisnel, Thierry; Lorcy, Dominique
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10647 - 10654
• a: 6.8346 ± 0.0012 Å
• b: 12.817 ± 0.002 Å
• c: 15.437 ± 0.003 Å
• α: 97.647 ± 0.009°
• β: 102.055 ± 0.008°
• γ: 103.035 ± 0.009°
• Cell volume: 1265.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No