Information card for entry 4313996

Structure parameters

• Formula: C55 H52 F3 O3 P4 Ru S3
• Calculated formula: C55 H52 F3 O3 P4 Ru S3
• Title of publication: Utilization of CS2 as a Source of C1 Chemistry for the Generation of Methyldithioformate
• Authors of publication: Thirumanavelan Gandhi; Munirathinam Nethaji; Balaji R. Jagirdar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4798 - 4800
• a: 12.45 ± 0.006 Å
• b: 23.32 ± 0.01 Å
• c: 19.433 ± 0.009 Å
• α: 90°
• β: 106.791 ± 0.007°
• γ: 90°
• Cell volume: 5402 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No