Information card for entry 7043417

Structure parameters

• Formula: C82 H74 Cl5 F6 N2 P Ru S2
• Calculated formula: C82 H74 Cl5 F6 N2 P Ru S2
• Title of publication: Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands
• Authors of publication: Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.0178 ± 0.0005 Å
• b: 19.167 ± 0.0007 Å
• c: 25.3278 ± 0.0008 Å
• α: 90°
• β: 95.922 ± 0.002°
• γ: 90°
• Cell volume: 7251.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No