Information card for entry 4344845

Structure parameters

• Formula: C20 H36 Cl2 I4 N4 Ru
• Calculated formula: C20 H36 Cl2 I4 N4 Ru
• 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: 11.7096 ± 0.0011 Å
• b: 11.7096 ± 0.0011 Å
• c: 13.787 ± 0.0017 Å
• α: 90 ± 0.01°
• β: 90°
• γ: 90°
• Cell volume: 1890.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No