Information card for entry 4334040

Structure parameters

• Common name: {RuH[(eta2-H-SiMe2)N(Me)kappa-N-(C5H4N)][kappa-Si,N-(SiMe2)N(Me)(C5H4N)]2}+ {[3,5-(CF3)2C6H3]4B}-
• Formula: C56 H53 B F24 N6 Ru Si3
• Calculated formula: C56 H53 B F24 N6 Ru Si3
• SMILES: c1cccc2[n]1[RuH]13([n]4ccccc4N(C)[Si]1(C)C)([Si](C)(C)N2C)[n]1ccccc1N(C)[Si](C)(C)[H]3.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation
• Authors of publication: Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2654 - 2661
• a: 13.9659 ± 0.0003 Å
• b: 11.9966 ± 0.0004 Å
• c: 18.2189 ± 0.0005 Å
• α: 90°
• β: 94.0112 ± 0.0017°
• γ: 90°
• Cell volume: 3044.98 ± 0.15 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 ± 1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.1708 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No