Information card for entry 4307759

Structure parameters

• Formula: C42 H26 F17 N10 O3 P2 Ru
• Calculated formula: C46 H32 F5 N13 O6.25 Ru
• Title of publication: Ruthenium(II) Complexes with Improved Photophysical Properties Based on Planar 4'-(2-Pyrimidinyl)-2,2':6',2''-terpyridine Ligands
• Authors of publication: Yuan-Qing Fang; Nicholas J. Taylor; François Laverdière; Garry S. Hanan; Frédérique Loiseau; Francesco Nastasi; Sebastiano Campagna; Hélène Nierengarten; Emmanuelle Leize-Wagner; Alain Van Dorsselaer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2854 - 2863
• a: 13.267 ± 0.002 Å
• b: 25.158 ± 0.004 Å
• c: 14.348 ± 0.002 Å
• α: 90°
• β: 109.739 ± 0.002°
• γ: 90°
• Cell volume: 4507.6 ± 1.2 ų
• Cell temperature: 447 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No