Information card for entry 4334470

Structure parameters

• Chemical name: (μ-disulfide)-<i>bis</i>[{κ^2^ <i>C</i>,<i>N</i>-3-isopropyl-1-(pyrid-2-ylmethyl)- 2,3-dihydro-imidazole-2-ylidene}-{κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''-<i>tris</i>(pirazolyl)borate}- ruthenium(III)] <i>bis</i>[<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate]
• Formula: C51 H33 B2 F24 N9 Ru S
• Calculated formula: C51 H33 B2 F24 N9 Ru S
• Title of publication: Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules
• Authors of publication: Francys E. Fernández; M. Carmen Puerta; Pedro Valerga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4396 - 4410
• a: 13.125 ± 0.003 Å
• b: 29.488 ± 0.006 Å
• c: 15.163 ± 0.003 Å
• α: 90°
• β: 94.51 ± 0.03°
• γ: 90°
• Cell volume: 5850 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.157
• 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: Yes
• Has Fobs: No