Information card for entry 4332334

Structure parameters

• Formula: C18 H28 F12 N6 P2 Ru
• Calculated formula: C18 H28 F12 N6 P2 Ru
• SMILES: [Ru]1234([NH]5CC[NH]1CC[NH]2CC[NH]3CC5)[n]1ccccc1c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties
• Authors of publication: Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6282 - 6297
• a: 11.386 ± 0.0003 Å
• b: 15.3588 ± 0.0004 Å
• c: 14.3446 ± 0.0004 Å
• α: 90°
• β: 90.573 ± 0.001°
• γ: 90°
• Cell volume: 2508.39 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No