Information card for entry 1513633

Structure parameters

• Formula: C68 H53 B2 F8 N13 Rh2
• Calculated formula: C68 H53 B2 F8 N13 Rh2
• SMILES: [Rh]123([Rh]4([N]#CC)([N](=CN2c2ccc(C)cc2)c2ccc(cc2)C)(N(c2ccc(cc2)C)C=[N]1c1ccc(cc1)C)[n]1c2c5[n]4cccc5c4nc5c(nc4c2ccc1)cccc5)[n]1c2c4[n]3cccc4c3c(nc4c(n3)cccc4)c2ccc1.[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: 50.745 ± 0.01 Å
• b: 19.81 ± 0.004 Å
• c: 13.614 ± 0.003 Å
• α: 90°
• β: 99.7 ± 0.03°
• γ: 90°
• Cell volume: 13490 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No