Information card for entry 4334463

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) 0.35 silver bromide
• Formula: C21 H25 Ag0.35 B Br0.35 Cl N9 Ru
• Calculated formula: C21 H25 Ag0.349 B Br0.349 Cl 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: 16.0514 ± 0.0019 Å
• b: 16.0514 ± 0.0019 Å
• c: 16.0514 ± 0.0019 Å
• α: 97.046 ± 0.017°
• β: 97.046 ± 0.017°
• γ: 97.046 ± 0.017°
• Cell volume: 4033.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No