Information card for entry 7031292

Structure parameters

• Formula: C35 H46 Cl F0 N3 P0 Ru
• Calculated formula: C35 H46 Cl N3 Ru
• SMILES: [Ru]123456(Cl)(c7n(n[n+](c7c7ccccc17)C)Cc1c(cc(cc1C(C)C)C(C)C)C(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(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: 7.9369 ± 0.0011 Å
• b: 12.9896 ± 0.0017 Å
• c: 15.948 ± 0.002 Å
• α: 82.33 ± 0.008°
• β: 79.646 ± 0.008°
• γ: 76.138 ± 0.008°
• Cell volume: 1563.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No