Information card for entry 4324142

Structure parameters

• Formula: C20 H22 F6 N5 O P Ru S
• Calculated formula: C20 H22 F6 N5 O P Ru S
• SMILES: [Ru]1([N](=Cc2sccc12)c1ccc(cc1)OC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Novel Thiophene-Based Cycloruthenated Compounds: Synthesis, Characterization, and Reactivity
• Authors of publication: Luciano Cuesta; Irene Maluenda; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 37 - 45
• a: 8.549 ± 0.0012 Å
• b: 12.4607 ± 0.0014 Å
• c: 13.546 ± 0.002 Å
• α: 64.476 ± 0.013°
• β: 73.774 ± 0.013°
• γ: 83.614 ± 0.01°
• Cell volume: 1250.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2148
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No