Information card for entry 4066869

Structure parameters

• Formula: C24 H25 F6 N2 P Ru S3
• Calculated formula: C24 H25 F6 N2 P Ru S3
• SMILES: C(#Cc1ccccc1)[Ru]123([n]4ccccc4c4cccc[n]14)[S]1CC[S]2CC[S]3CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photophysical and Theoretical Studies of Ruthenium(II)−Acetylide and −Cyanide Complexes with Aromatic Diimine and Trithiacyclononane
• Authors of publication: Wong, Chun-Yuen; Lai, Lo-Ming; Chan, Siu-Chung; Tai, Lai-Hung
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6259
• a: 10.6871 ± 0.0009 Å
• b: 12.3212 ± 0.001 Å
• c: 19.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2615.1 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No