Information card for entry 7053107

Structure parameters

• Formula: C21 H31 I N4 O3 S3
• Calculated formula: C21 H31 I N4 O3 S3
• SMILES: [I-].S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.n1(c[n+](c2c1c1c(c3c2cccn3)nccc1)C)C
• 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: 7.0234 ± 0.0003 Å
• b: 11.5161 ± 0.0007 Å
• c: 16.6952 ± 0.0013 Å
• α: 84.67 ± 0.003°
• β: 85.169 ± 0.004°
• γ: 81.571 ± 0.004°
• Cell volume: 1326.56 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1514
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1842
• 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