Information card for entry 7104581

Structure parameters

• Formula: C72 H52 F12 N6 Ru
• Calculated formula: C72 H52 F12 N6 Ru
• Title of publication: The key intermediate in the amination of saturated C-H bonds: synthesis, X-ray characterization and catalytic activity of Ru(TPP)(NAr)(2) (Ar = 3,5-(CF(3))(2)C(6)H(3)).
• Authors of publication: Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Cenini, Sergio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 26
• Pages of publication: 3952 - 3954
• a: 10.55 ± 0.005 Å
• b: 11.624 ± 0.005 Å
• c: 13.338 ± 0.005 Å
• α: 77.057 ± 0.005°
• β: 76.063 ± 0.005°
• γ: 75.063 ± 0.005°
• Cell volume: 1510.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No