Information card for entry 4511614

Structure parameters

• Formula: C60 H67 Br0.65 Cl0.35 N7 O P Ru
• Calculated formula: C60 H67 Br0.65 Cl0.35 N7 O P Ru
• Title of publication: Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties
• Authors of publication: Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 2667
• a: 10.6089 ± 0.0003 Å
• b: 15.4581 ± 0.0002 Å
• c: 18.9255 ± 0.0004 Å
• α: 70.365 ± 0.001°
• β: 88.255 ± 0.001°
• γ: 84.453 ± 0.001°
• Cell volume: 2909.49 ± 0.11 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: 0.0356
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No