Information card for entry 2242242

Structure parameters

• Chemical name: [2-({2-[(2-Aminobenzylidene)amino]benzylidene}amino)-4-chlorophenolate]nickel(II)
• Formula: C20 H14 Cl N3 Ni O
• Calculated formula: C20 H14 Cl N3 Ni O
• SMILES: [Ni]123[N](c4c(O1)ccc(Cl)c4)=Cc1ccccc1[N]2=Cc1ccccc1N3
• Title of publication: Crystal structure of [2-({2-[(2-azanidylbenzylidene)amino]benzylidene}amino)-4-chlorophenolato]nickel(II)
• Authors of publication: Kobayashi, Fumiya; Koga, Atsushi; Ohtani, Ryo; Hayami, Shinya; Nakamura, Masaaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 637 - 639
• a: 7.551 ± 0.0004 Å
• b: 17.8689 ± 0.0009 Å
• c: 12.6834 ± 0.0006 Å
• α: 90°
• β: 109.95 ± 0.0014°
• γ: 90°
• Cell volume: 1608.65 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes