Information card for entry 4034150

Structure parameters

• Formula: C28 H26 B2 F8 N6 O Ru
• Calculated formula: C28 H26 B2 F8 N6 O Ru
• SMILES: [Ru]12([n]3ccccc3c3[n]1c(cc(c3)c1ccc(OC)cc1)c1[n]2cccc1)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: (Ar-tpy)Ru^II(ACN)₃: A Water-Soluble Catalyst for Aldehyde Amidation, Olefin Oxo-Scissoring, and Alkyne Oxygenation.
• Authors of publication: Joarder, Dripta De; Gayen, Subrata; Sarkar, Rajarshi; Bhattacharya, Rajarshi; Roy, Sima; Maiti, Dilip K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 13
• Pages of publication: 8468 - 8480
• a: 10.6391 ± 0.0003 Å
• b: 12.2077 ± 0.0004 Å
• c: 14.2342 ± 0.0004 Å
• α: 98.516 ± 0.002°
• β: 96.25 ± 0.001°
• γ: 115.038 ± 0.001°
• Cell volume: 1625.89 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No