Information card for entry 7048008

Structure parameters

• Formula: C28 H40 Br F6 Ni O P2 Sb
• Calculated formula: C28 H40 Br F6 Ni O P2 Sb
• Title of publication: Redox-state dependent activation of silanes and ammonia with reverse polarity (PC_carbeneP)Ni complexes: electrophilic vs. nucleophilic carbenes.
• Authors of publication: LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16789 - 16797
• a: 16.4321 ± 0.0004 Å
• b: 14.2612 ± 0.0005 Å
• c: 16.6228 ± 0.0005 Å
• α: 90°
• β: 110.71 ± 0.002°
• γ: 90°
• Cell volume: 3643.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No