Information card for entry 4340482

Structure parameters

• Formula: C50 H54 B Cl7 N4 O Ru
• Calculated formula: C49 H53 B Cl4 N4 O Ru
• Title of publication: Solvent-Dependent Switch of Ligand Donor Ability and Catalytic Activity of Ruthenium(II) Complexes Containing Pyridinylidene Amide (PYA) N-Heterocyclic Carbene Hybrid Ligands.
• Authors of publication: Leigh, Vivienne; Carleton, Daniel J.; Olguin, Juan; Mueller-Bunz, Helge; Wright, L. James; Albrecht, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 8054
• a: 11.7717 ± 0.0003 Å
• b: 14.9915 ± 0.0003 Å
• c: 15.5208 ± 0.0003 Å
• α: 89.481 ± 0.002°
• β: 71.817 ± 0.002°
• γ: 83.976 ± 0.002°
• Cell volume: 2587.08 ± 0.1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No