Information card for entry 4304031

Structure parameters

• Formula: C46 H40 B2 F8 N6 O4 Ru
• Calculated formula: C46 H40 B2 F8 N6 O4 Ru
• SMILES: [Ru]123([n]4cc(cc5ccc6cc(c[n]1c6c45)c1ccc(cc1)OC)c1ccc(cc1)OC)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O
• Title of publication: Syntheses, Crystal Structures, and Spectral Properties of a Series of 3,8-Bisphenyl-1,10-phenanthroline Derivatives: Precursors of 3,8-Bis(4-mercaptophenyl)-1,10-phenanthroline and Its Ruthenium(II) Complex for Preparing Nanocomposite Junctions with Gold Nanoparticles between 1 μm Gap Gold Electrodes
• Authors of publication: Wei Huang; Gou Masuda; Seisuke Maeda; Hirofumi Tanaka; Takami Hino; Takuji Ogawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 468 - 480
• a: 12.017 ± 0.002 Å
• b: 13.253 ± 0.003 Å
• c: 13.795 ± 0.003 Å
• α: 81.88 ± 0.03°
• β: 84.83 ± 0.03°
• γ: 82.76 ± 0.03°
• Cell volume: 2151.8 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No