Information card for entry 7021185

Structure parameters

• Formula: C55 H36 Br F12 N11 P2 Ru
• Calculated formula: C55 H36 Br F12 N11 P2 Ru
• Title of publication: Understanding the redox properties of dinuclear ruthenium(II) complexes by a joint experimental and theoretical analysis.
• Authors of publication: Santoni, Marie-Pierre; Nastasi, Francesco; Campagna, Sebastiano; Hanan, Garry S; Hasenknopf, Bernold; Ciofini, Ilaria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5281 - 5291
• a: 9.2589 ± 0.0012 Å
• b: 14.846 ± 0.003 Å
• c: 21.138 ± 0.004 Å
• α: 108.121 ± 0.008°
• β: 98.105 ± 0.008°
• γ: 93.99 ± 0.008°
• Cell volume: 2713.9 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2151
• Residual factor for significantly intense reflections: 0.1662
• Weighted residual factors for significantly intense reflections: 0.3996
• Weighted residual factors for all reflections included in the refinement: 0.4348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No