Information card for entry 4105674

Structure parameters

• Formula: C23 H52 F3 N Ni O3 P2 S Si2
• Calculated formula: C23 H52 F3 N Ni O3 P2 S Si2
• SMILES: [Ni]12([P](C2)(C(C)(C)C)C(C)(C)C)[P](C[Si](N1[Si](OS(=O)(=O)C(F)(F)F)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+
• Authors of publication: Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2571 - 2582
• a: 11.57 ± 0.0006 Å
• b: 17.0742 ± 0.0008 Å
• c: 17.153 ± 0.0009 Å
• α: 90°
• β: 104.13 ± 0.001°
• γ: 90°
• Cell volume: 3286 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No