Information card for entry 7128847

Structure parameters

• Formula: C36 H48 F6 N6 Ni O5 S2
• Calculated formula: C36 H48 F6 N6 Ni O5 S2
• 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: 11.9598 ± 0.0007 Å
• b: 12.3574 ± 0.0007 Å
• c: 28.0107 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4139.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No