Information card for entry 2235125

Structure parameters

• Chemical name: [2-Formyl-4-methyl-6-({2-[2-(4- nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate
• Formula: C20 H23 Cl N4 Ni O8
• Calculated formula: C20 H23 Cl N4 Ni O8
• SMILES: C(=O)c1cc(cc2C=[N]3[Ni]4([NH](CC3)CC[NH]4Cc3ccc(cc3)N(=O)=O)Oc12)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: [2-Formyl-4-methyl-6-({2-[2-(4-nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate
• Authors of publication: Wang, Yang; Mao, Jia-Wei; Song, Hui-Ting; Zhou, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m766
• a: 9.524 ± 0.0014 Å
• b: 9.6423 ± 0.0014 Å
• c: 14.024 ± 0.002 Å
• α: 97.897 ± 0.002°
• β: 109.415 ± 0.003°
• γ: 107.453 ± 0.002°
• Cell volume: 1117.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes