Information card for entry 4335075

Structure parameters

• Chemical name: (2,3-diphenyl-prop-1-en-3-one-ylidene)-{κ^2^<i>C</i>,<i>N</i>-3-methyl-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(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate 0.52 dichloromethane solvate
• Formula: C66.58 H44.17 B2 Cl1.17 F24 N9 O Ru
• Calculated formula: C66.583 H44.166 B2 Cl1.166 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: 13.444 ± 0.003 Å
• b: 16.053 ± 0.003 Å
• c: 18.075 ± 0.004 Å
• α: 110.9 ± 0.03°
• β: 106.52 ± 0.03°
• γ: 91.96 ± 0.03°
• Cell volume: 3453.5 ± 1.7 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: 0.0611
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No