Information card for entry 2019088

Structure parameters

• Chemical name: [2-(Aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>'][chlorido/trifluoromethanesulfonato(0.91/0.09)][(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethanesulfonate dichloromethane 0.91-solvate,
• Formula: C41 H37.83 Cl2.74 F3.26 N3 O3.26 P Ru S1.09
• Calculated formula: C41 H37.828 Cl2.742 F3.258 N3 O3.258 P Ru S1.086
• Title of publication: A mixed chloride/trifluoromethanesulfonate ligand species in a ruthenium(II) complex
• Authors of publication: Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 859 - 861
• a: 14.374 ± 0.003 Å
• b: 15.875 ± 0.003 Å
• c: 17.235 ± 0.003 Å
• α: 90°
• β: 94.019 ± 0.004°
• γ: 90°
• Cell volume: 3923.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes