Information card for entry 7031580

Structure parameters

• Formula: C40 H24 F23 N2 O7 P3 Ru S
• Calculated formula: C40 H21 F23 N2 O6 P3 Ru S
• SMILES: c1(c(c(c(c(c1F)F)F)[P]1(c2c(c(c(c(c2F)F)F)F)F)CC[P](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[Ru]21([P](OC)(OC)OC)[n]1ccccc1c1cccc[n]21)F)F.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.
• Authors of publication: Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13410 - 13423
• a: 36.08 ± 0.005 Å
• b: 12.8866 ± 0.0018 Å
• c: 24.761 ± 0.004 Å
• α: 90°
• β: 118.406 ± 0.013°
• γ: 90°
• Cell volume: 10126 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No