Information card for entry 4342134

Structure parameters

• Formula: C28 H35 F13 N6 O3 P2 Ru
• Calculated formula: C31 H36 F12 N6 O2 P2 Ru
• SMILES: [Ru]1234([n]5c(c6[n]1cccc6)cccc5C[N]3(Cc1[n]2cccc1)Cc1[n]4cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Solid-phase synthesis as a platform for the discovery of new ruthenium complexes for efficient release of photocaged ligands with visible light.
• Authors of publication: Sharma, Rajgopal; Knoll, Jessica D.; Ancona, Nicholas; Martin, Phillip D.; Turro, Claudia; Kodanko, Jeremy J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1901 - 1911
• a: 8.819 ± 0.003 Å
• b: 13.035 ± 0.005 Å
• c: 17.45 ± 0.007 Å
• α: 72.241 ± 0.013°
• β: 83.765 ± 0.015°
• γ: 77.201 ± 0.015°
• Cell volume: 1861.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1801
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.3116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No