Information card for entry 4315287

Structure parameters

• Chemical name: From MeOH/tBuOMe
• Formula: C14 H19 Cl2 N3 Ru
• Calculated formula: C14 H19 Cl2 N3 Ru
• SMILES: [Ru]123456(Cl)([c]7([cH]1[cH]2[cH]3[cH]4[cH]57)c1c(N)cccc1)[NH2]CC[NH2]6.[Cl-]
• 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: 11.5327 ± 0.0009 Å
• b: 9.2986 ± 0.0007 Å
• c: 14.9108 ± 0.0011 Å
• α: 90°
• β: 108.77 ± 0.005°
• γ: 90°
• Cell volume: 1514 ± 0.2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No