Information card for entry 4337866

Structure parameters

• Formula: C25 H28.5 F12 N7.5 P2 Ru
• Calculated formula: C25 H28.5 F12 N7.5 P2 Ru
• SMILES: [Ru]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Ruthenium Tris(2-pyridylmethyl)amine as an Effective Photocaging Group for Nitriles.
• Authors of publication: Sharma, Rajgopal; Knoll, Jessica D.; Martin, Philip D.; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3272
• a: 12.1129 ± 0.0008 Å
• b: 12.2928 ± 0.0008 Å
• c: 21.849 ± 0.0015 Å
• α: 94.436 ± 0.003°
• β: 97 ± 0.003°
• γ: 91.324 ± 0.003°
• Cell volume: 3217.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No