Information card for entry 4344846

Structure parameters

• Formula: C20 H36 I4 N4 Ru
• Calculated formula: C20 H36 I4 N4 Ru
• SMILES: C(#[N]C(C)(C)C)[Ru](I)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(I)C#[N]C(C)(C)C.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: 11.377 ± 0.001 Å
• b: 15.197 ± 0.001 Å
• c: 18.484 ± 0.003 Å
• α: 90°
• β: 106.64 ± 0.02°
• γ: 90°
• Cell volume: 3062 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No