Information card for entry 4334464

Structure parameters

• Chemical name: (chlorido)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II) 0.79 dichloromethane solvate
• Formula: C21.79 H26.58 B Cl2.58 N9 Ru
• Calculated formula: C21.793 H26.586 B Cl2.586 N9 Ru
• 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: 24.2071 ± 0.0014 Å
• b: 24.2071 ± 0.0014 Å
• c: 24.61 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12489 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No