Information card for entry 4065062

Structure parameters

• Formula: C36 H33 F3 N Ni O5 P2 S
• Calculated formula: C36 H33 F3 N Ni O5 P2 S
• Title of publication: Hydroamination and Alcoholysis of Acrylonitrile Promoted by the Pincer Complex {κP,κC,κP-2,6-(Ph2PO)2C6H3}Ni(OSO2CF3)
• Authors of publication: Salah, Abderrahmen B.; Offenstein, Caroline; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5352
• a: 8.6077 ± 0.0003 Å
• b: 14.2378 ± 0.0004 Å
• c: 15.1147 ± 0.0005 Å
• α: 96.385 ± 0.001°
• β: 105.137 ± 0.001°
• γ: 93.29 ± 0.002°
• Cell volume: 1769.79 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No