Information card for entry 4348481

Structure parameters

• Formula: C50 H52 F6 N3 O6 P3 Ru S2
• Calculated formula: C50 H52 F6 N3 O6 P3 Ru S2
• Title of publication: Synthesis and Antiproliferative Activity of [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
• Authors of publication: Mendoza, Zenaida; Lorenzo-Luis, Pablo; Serrano-Ruiz, Manuel; Martín-Batista, Elva; Padrón, José M; Scalambra, Franco; Romerosa, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7820 - 7822
• a: 11.2838 ± 0.0002 Å
• b: 15.0822 ± 0.0003 Å
• c: 30.4789 ± 0.0006 Å
• α: 90°
• β: 98.7722 ± 0.0009°
• γ: 90°
• Cell volume: 5126.36 ± 0.17 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 300.7 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: 0.0617
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No