Information card for entry 4082102

Structure parameters

• Formula: C19 H16 N4
• Calculated formula: C19 H16 N4
• SMILES: N(\C(=C/C(=N/c1ccc(cc1)C#N)C)C)c1ccc(cc1)C#N
• 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: 9.2851 ± 0.0003 Å
• b: 9.5028 ± 0.0003 Å
• c: 19.0924 ± 0.0006 Å
• α: 93.509 ± 0.002°
• β: 96.671 ± 0.002°
• γ: 104.723 ± 0.002°
• Cell volume: 1611.03 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No