Information card for entry 4082109

Structure parameters

• Formula: C62 H29 B2 F30 N4 Ni
• Calculated formula: C62 H29 B2 F30 N4 Ni
• Title of publication: N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene
• Authors of publication: Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7323
• a: 11.9096 ± 0.0003 Å
• b: 20.1587 ± 0.0005 Å
• c: 24.8459 ± 0.0007 Å
• α: 90°
• β: 100.218 ± 0.0011°
• γ: 90°
• Cell volume: 5870.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No