Information card for entry 4109811

Structure parameters

• Formula: C130 H102 B4 F8 N14 O8 Rh2 Ru2
• Calculated formula: C130 H102 B4 F8 N14 O8 Rh2 Ru2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)C1=[O][Rh]567([Rh](O1)([N]#CC)([O]=C(C)O6)(OC(C)=[O]5)[O]=C(c1ccc(c5cc6[n]8[Ru]9%10([n]%11ccccc%11c8c5)([n]5ccccc5c5[n]9c(ccc5)c5cccc[n]%105)[n]5c6cccc5)cc1)O7)[N]#CC)c1[n]3cccc1)[n]1ccccc1c1[n]2c(ccc1)c1cccc[n]41.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores
• Authors of publication: Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10479 - 10488
• a: 9.5166 ± 0.0007 Å
• b: 13.4933 ± 0.001 Å
• c: 26.5103 ± 0.0017 Å
• α: 89.659 ± 0.004°
• β: 82.213 ± 0.004°
• γ: 71.513 ± 0.004°
• Cell volume: 3196.3 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No