Information card for entry 1513632

Structure parameters

• Formula: C78 H54 B2 F12 N16 Rh2
• Calculated formula: C78 H54 B2 F12 N16 Rh2
• SMILES: [Rh]123([Rh]4([N](=CN1c1ccc(cc1)F)c1ccc(cc1)F)(N(C=[N]2c1ccc(cc1)F)c1ccc(cc1)F)([n]1c2c5[n]4cccc5c4nc5c(nc4c2ccc1)cc1c(c5)cccc1)[N]#CC)([n]1cccc2c1c1[n]3cccc1c1nc3c(nc21)cc1c(c3)cccc1)[N]#CC.N#CC.N#CC.[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: 14.698 ± 0.003 Å
• b: 26.636 ± 0.005 Å
• c: 23.354 ± 0.007 Å
• α: 90°
• β: 123.59 ± 0.02°
• γ: 90°
• Cell volume: 7616 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No