Information card for entry 4315288

Structure parameters

• Formula: C12 H12 Cl3 N Ru
• Calculated formula: C12 H12 Cl3 N Ru
• SMILES: c1(ccccc1[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456(Cl)(Cl)Cl)[NH3+]
• Title of publication: Controlling the Reactivity of Ruthenium(II) Arene Complexes by Tether Ring-Opening
• Authors of publication: Ana M. Pizarro; Michael Melchart; Abraha Habtemariam; Luca Salassa; Francesca P. A. Fabbiani; Simon Parsons; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3310 - 3319
• a: 13.1377 ± 0.0004 Å
• b: 6.8928 ± 0.0002 Å
• c: 15.0526 ± 0.0005 Å
• α: 90°
• β: 110.648 ± 0.002°
• γ: 90°
• Cell volume: 1275.54 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No