Information card for entry 4334467

Structure parameters

• Chemical name: (μ-dinitrogen)-bis{κ^2^ C,N-3-methyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-<i>bis</i>{κ^3^ N,N',N''-<i>tris</i>(pirazolyl)borate}- diruthenium(II) <i>bis</i>{<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate}
• Formula: C102 H66 B4 F48 N20 Ru2
• Calculated formula: C102 H66 B4 F48 N20 Ru2
• SMILES: [Ru]123([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)([n]1c(CN2C=3N(C=C2)C)cccc1)[N]#[N][Ru]123([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)[n]1c(CN2C=3N(C=C2)C)cccc1.FC(F)(F)c1cc(cc(c1)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.FC(F)(F)c1cc(cc(c1)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: 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: 13.062 ± 0.003 Å
• b: 29.388 ± 0.006 Å
• c: 14.96 ± 0.003 Å
• α: 90°
• β: 93.48 ± 0.03°
• γ: 90°
• Cell volume: 5732 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No