Information card for entry 4069931

Structure parameters

• Formula: C26 H25 F6 N2 P Ru S3
• Calculated formula: C26 H25 F6 N2 P Ru S3
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)([n]1cccc2c1c1[n]3cccc1cc2)C#Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium Acetylide Complexes Supported by Trithiacyclononane and Aromatic Diimine: Structural, Spectroscopic, and Theoretical Studies
• Authors of publication: Wong, Chun-Yuen; Lai, Lo-Ming; Pat, Pak-Kei
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5656
• a: 10.3818 ± 0.0006 Å
• b: 11.9624 ± 0.0006 Å
• c: 13.4312 ± 0.001 Å
• α: 90.623 ± 0.005°
• β: 107.784 ± 0.006°
• γ: 108.461 ± 0.005°
• Cell volume: 1495.87 ± 0.18 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: 0.0365
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No