Information card for entry 4335078

Structure parameters

• Chemical name: {κ^2^ <i>C</i>, <i>N</i>-3-methyl-1-(pyrid-2-ylmethyl)- (2-phenyl-but-1-en-3-one-ylidene)-2,3-dihydro-imidazole-2-ylidene}- (2-phenyl-but-1-en-3-one-ylidene)-{κ^3^ <i>N</i>, <i>N</i>',<i>N</i>'' -<i>tris</i>(pirazolyl)borate}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate 0.43 dichloromethane solvate
• Formula: C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru
• Calculated formula: C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru
• Title of publication: Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions
• Authors of publication: Francys E. Fernández; María del Carmen Puerta; Pedro Valerga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6502 - 6509
• a: 12.821 ± 0.003 Å
• b: 13.172 ± 0.003 Å
• c: 19.174 ± 0.004 Å
• α: 81.22 ± 0.03°
• β: 88.22 ± 0.03°
• γ: 86.08 ± 0.03°
• Cell volume: 3191.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No