Information card for entry 4314622

Structure parameters

• Formula: C30 H16 F6 N8 O2 Ru
• Calculated formula: C30 H16 F6 N8 O2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(ccc5)C(=O)c1n2nc(c1)C(F)(F)F)[n]1ccccc1c1[n]3c(ccc1)C(=O)c1n4nc(c1)C(F)(F)F
• Title of publication: New Series of Ruthenium(II) and Osmium(II) Complexes Showing Solid-State Phosphorescence in Far-Visible and Near-Infrared
• Authors of publication: Jing-Lin Chen; Yun Chi; Kellen Chen; Yi-Ming Cheng; Min-Wen Chung; Ya-Chien Yu; Gene-Hsiang Lee; Pi-Tai Chou; Ching-Fong Shu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 823 - 832
• a: 9.7564 ± 0.0004 Å
• b: 12.2193 ± 0.0005 Å
• c: 23.9532 ± 0.001 Å
• α: 90°
• β: 100.349 ± 0.001°
• γ: 90°
• Cell volume: 2809.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No