Information card for entry 7053108

Structure parameters

• Formula: C39 H39 F18 N8 O5 P3 Ru
• Calculated formula: C39 H29 F18 N8 P3 Ru
• SMILES: [Ru]123([n]4cccc5c4c4[n]1cccc4c1n(c[n+](c51)C)C)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium(ii) complexes incorporating the bidentate ligand containing an imidazolium moiety: synthesis, characterization, and electrochemical properties and their application in a visible-light induced hydrogen-evolving system
• Authors of publication: Park, Hee-Jun; Kim, Wooyul; Choi, Wonyong; Chung, Young Keun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 10
• Pages of publication: 3174
• a: 12.8038 ± 0.0007 Å
• b: 12.9738 ± 0.0007 Å
• c: 15.058 ± 0.0009 Å
• α: 82.105 ± 0.003°
• β: 83.499 ± 0.003°
• γ: 75.437 ± 0.003°
• Cell volume: 2389.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No