Information card for entry 4332335

Structure parameters

• Formula: C26 H46 F12 N6 O P2 Ru
• Calculated formula: C26 H46 F12 N6 O P2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1cccc5)[NH]1[C@H](CC([NH]2CC[NH]3[C@H](CC([NH]4CC1)(C)C)C)(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• 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: 9.6939 ± 0.0002 Å
• b: 10.2598 ± 0.0003 Å
• c: 34.0818 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3389.69 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No