Information card for entry 1513631

Structure parameters

• Formula: C66 H44 B2 F12 N14 Rh2
• Calculated formula: C66 H44 B2 F12 N14 Rh2
• SMILES: [Rh]123([Rh]4([N]#CC)([n]5c6c7[n]4cccc7c4nc7c(nc4c6ccc5)cccc7)([N](c4ccc(F)cc4)=CN3c3ccc(F)cc3)N(C=[N]1c1ccc(F)cc1)c1ccc(F)cc1)([N]#CC)[n]1c3c(ccc1)c1nc4ccccc4nc1c1c3[n]2ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion
• Authors of publication: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 727
• a: 13.104 ± 0.003 Å
• b: 13.114 ± 0.003 Å
• c: 22.82 ± 0.005 Å
• α: 73.63 ± 0.03°
• β: 86.21 ± 0.03°
• γ: 66.42 ± 0.03°
• Cell volume: 3443.5 ± 1.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No