Information card for entry 7031574

Structure parameters

• Formula: C38.5 H18 Cl2 F20 N2 O2 P2 Ru
• Calculated formula: C38 H12 Cl2 F20 N2 P2 Ru
• SMILES: [Ru]12([n]3c4c5[n]1cccc5ccc4ccc3)([P](c1c(F)c(F)c(F)c(F)c1F)(CC[P]2(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl
• 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: 12.597 ± 0.005 Å
• b: 11.179 ± 0.005 Å
• c: 28.426 ± 0.005 Å
• α: 90°
• β: 90.797 ± 0.005°
• γ: 90°
• Cell volume: 4003 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No