Information card for entry 7030460

Structure parameters

• Formula: C26 H30 Cl F6 N4 O P Ru
• Calculated formula: C26 H30 Cl F6 N4 O P Ru
• Title of publication: Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex.
• Authors of publication: Haghighi, Farid Hajareh; Hadadzadeh, Hassan; Farrokhpour, Hossein; Serri, Nafiseh; Abdi, Khatereh; Amiri Rudbari, Hadi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11317 - 11332
• a: 15.04 ± 0.006 Å
• b: 11.524 ± 0.005 Å
• c: 16.288 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2823 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No