Information card for entry 4081389

Structure parameters

• Formula: C37 H39 Cl2 F6 N5 O3 P2 Ru
• Calculated formula: C37 H39 Cl2 F6 N5 O3 P2 Ru
• 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: 10.124 ± 0.002 Å
• b: 17.374 ± 0.003 Å
• c: 22.971 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4040.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No