Information card for entry 4109810

Structure parameters

• Formula: C69 H54 B F6 N10 O2 P Ru
• Calculated formula: C69 H54 B F6 N10 O2 P Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)C(=O)O)c1[n]2cccc1)[n]1ccccc1c1[n]3c(nc(n1)c1ccccc1)c1[n]4cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• 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: 12.9474 ± 0.0003 Å
• b: 13.3066 ± 0.0003 Å
• c: 19.128 ± 0.0004 Å
• α: 90.348 ± 0.002°
• β: 93.154 ± 0.001°
• γ: 110.644 ± 0.001°
• Cell volume: 3078.06 ± 0.12 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: 0.0662
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No