Information card for entry 7031575

Structure parameters

• Formula: C41 H28 Cl F23 N2 O8.5 P3 Ru S
• Calculated formula: C40 H21 Cl F23 N2 O6 P3 Ru S
• SMILES: c1cccc2c3cccc[n]3[Ru]3(Cl)([n]12)([P](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)CC[P]3(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[P](OC)(OC)OC.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: 16.1027 ± 0.0005 Å
• b: 18.646 ± 0.0005 Å
• c: 21.5432 ± 0.0006 Å
• α: 113.439 ± 0.003°
• β: 93.612 ± 0.002°
• γ: 112.231 ± 0.003°
• Cell volume: 5317.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No