Information card for entry 4081388

Structure parameters

• Formula: C21 H26.5 F6 N6.5 O3 P Ru
• Calculated formula: C21 H26.5 F6 N6.5 O3 P Ru
• SMILES: c12ccc(cc1C1=[N]([C@H](CO1)C(C)C)[Ru]2([N]#CC)([N]#CC)([N]#CC)[N]#CC)N(=O)=O.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry
• Authors of publication: Kraack, Marianne; Harms, Klaus; Meggers, Eric
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5103
• a: 13.6445 ± 0.0005 Å
• b: 24.8208 ± 0.0007 Å
• c: 8.2145 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.98 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No