Information card for entry 7128848

Structure parameters

• Formula: C19 H26 Cl2 F3 N3 Ni O3 S
• Calculated formula: C19 H26 Cl2 F3 N3 Ni O3 S
• Title of publication: Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.
• Authors of publication: Pandey, Pragati; Bera, Jitendra K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9204 - 9207
• a: 16.6591 ± 0.001 Å
• b: 16.9699 ± 0.001 Å
• c: 17.4164 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4923.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No