Information card for entry 4334044

Structure parameters

• 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)([n]1ccccc1N(C)[Si](C)(C)[H]3)[Si](C)(C)N2C.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: 13.9065 ± 0.0003 Å
• b: 12.1742 ± 0.0003 Å
• c: 18.3076 ± 0.0004 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 3090.41 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No