Information card for entry 4344847

Structure parameters

• Formula: C20 H36 Cl I7 N4 Ru
• Calculated formula: C20 H36 Cl I7 N4 Ru
• SMILES: C(#[N]C(C)(C)C)[Ru]([I][I]I)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)Cl.II.II
• Title of publication: Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.
• Authors of publication: Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 283
• a: 22.735 ± 0.003 Å
• b: 14.945 ± 0.002 Å
• c: 11.6353 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3953.4 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.1302
• Weighted residual factors for significantly intense reflections: 0.3223
• Weighted residual factors for all reflections included in the refinement: 0.3422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No