Information card for entry 7039858

Structure parameters

• Formula: C38 H47 F3 N2 Ni O6.03 P2 S
• Calculated formula: C38 H47 F3 N2 Ni O6.032 P2 S
• Title of publication: On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.
• Authors of publication: Lapointe, S.; Zargarian, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15800 - 15810
• a: 9.288 ± 0.0006 Å
• b: 35.22 ± 0.002 Å
• c: 12.8458 ± 0.0008 Å
• α: 90°
• β: 102.689 ± 0.004°
• γ: 90°
• Cell volume: 4099.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0518
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No