Information card for entry 4344838

Structure parameters

• Formula: C28 H28 F12 N6 P2 Ru
• Calculated formula: C28 H28 F12 N6 P2 Ru
• SMILES: [Ru]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.
• Authors of publication: Li, Ao; White, Jessica K.; Arora, Karan; Herroon, Mackenzie K.; Martin, Philip D.; Schlegel, H. Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 10
• a: 17.5692 ± 0.0011 Å
• b: 9.9426 ± 0.0006 Å
• c: 18.2432 ± 0.0012 Å
• α: 90°
• β: 93.013 ± 0.004°
• γ: 90°
• Cell volume: 3182.4 ± 0.3 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: 0.0359
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No