Information card for entry 4338700

Structure parameters

• Formula: C14 H16 Cl12 N6 Ni O2
• Calculated formula: C14 H16 Cl12 N6 Ni O2
• 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: 12.8243 ± 0.0006 Å
• b: 9.46 ± 0.0006 Å
• c: 13.3469 ± 0.0007 Å
• α: 90°
• β: 115.994 ± 0.003°
• γ: 90°
• Cell volume: 1455.42 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No