Information card for entry 7031295

Structure parameters

• Formula: C19 H21 Cl2 N3 Ru
• Calculated formula: C19 H21 Cl2 N3 Ru
• SMILES: [Ru]123456(Cl)(Cl)c7n(n[n+](c7c7ccccc7)C)C[c]71[c]2([cH]3[c]4([cH]5[c]67C)C)C
• Title of publication: 1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.
• Authors of publication: Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12842
• a: 15.6915 ± 0.0015 Å
• b: 17.2977 ± 0.0016 Å
• c: 7.9741 ± 0.0006 Å
• α: 90°
• β: 103.38 ± 0.004°
• γ: 90°
• Cell volume: 2105.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No