Information card for entry 1513634

Structure parameters

• Formula: C80 H63 B Cl F4 N15 Rh2
• Calculated formula: C80 H63 B Cl F4 N15 Rh2
• SMILES: [Rh]123([Rh]4([n]5c6c7[n]4cccc7c4nc7c(nc4c6ccc5)cc4ccccc4c7)(N(C=[N]3c3ccc(cc3)C)c3ccc(cc3)C)N(C=[N]1c1ccc(cc1)C)c1ccc(cc1)C)(Cl)[n]1c3c4[n]2cccc4c2c(nc4c(n2)cc2c(c4)cccc2)c3ccc1.[B](F)(F)(F)[F-].C(#N)C.N#CC.CC#N
• 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: 10.056 ± 0.002 Å
• b: 19.244 ± 0.004 Å
• c: 19.431 ± 0.004 Å
• α: 97.18 ± 0.03°
• β: 94.07 ± 0.03°
• γ: 102.62 ± 0.03°
• Cell volume: 3621.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0786
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No