Information card for entry 4334468

Structure parameters

• Chemical name: (μ-dinitrogen)-<i>bis</i>{κ^2^C,N-3-phenyl-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} <i>bis</i>(diethyl ether solvate)
• Formula: C120 H90 B4 F48 N20 O2 Ru2
• Calculated formula: C120 H90 B4 F48 N20 O2 Ru2
• 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: 13.514 ± 0.003 Å
• b: 14.435 ± 0.003 Å
• c: 17.643 ± 0.004 Å
• α: 110.91 ± 0.03°
• β: 91.51 ± 0.03°
• γ: 100.67 ± 0.03°
• Cell volume: 3143.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No