Information card for entry 4338699

Structure parameters

• Formula: C22 H12 F8 N6 Ni O2
• Calculated formula: C22 H12 F8 N6 Ni O2
• SMILES: [Ni]12([NH]=C(N=C3N2C(=O)c2c3c(c(c(c2F)F)F)F)CC)[NH]=C(N=C2N1C(=O)c1c2c(c(c(c1F)F)F)F)CC
• Title of publication: NiII-mediated coupling between iminoisoindolinones and nitriles leading to unsymmetrical 1,3,5-triazapentadienato complexes.
• Authors of publication: Gushchin, Pavel V.; Luzyanin, Konstantin V.; Kopylovich, Maximilian N.; Haukka, Matti; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 3088 - 3094
• a: 5.6247 ± 0.0005 Å
• b: 8.8801 ± 0.0011 Å
• c: 11.1999 ± 0.0011 Å
• α: 100.583 ± 0.005°
• β: 102.77 ± 0.006°
• γ: 100.797 ± 0.006°
• Cell volume: 520.92 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No