Information card for entry 2210688

Structure parameters

• Chemical name: [2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13- dienato(2-)]nickel(II)
• Formula: C21 H20 N4 Ni O2
• Calculated formula: C21 H20 N4 Ni O2
• SMILES: [Ni]123N4C(=O)C(=O)N1c1ccccc1C(=[N]2CCC[N]3=C(C)c1ccccc41)C
• Title of publication: [2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-dienato(2‒)]nickel(II)
• Authors of publication: Yan-Hong Zhang; Gui-Ru Deng; Guang-Ming Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2717 - m2718
• a: 8.3453 ± 0.0014 Å
• b: 10.9683 ± 0.0019 Å
• c: 19.436 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes