Information card for entry 7220466

Structure parameters

• Formula: C40 H36 Cl0 N8 Ni O3
• Calculated formula: C40 H36 N8 Ni O3
• SMILES: [Ni]1234(OC(=N[N]4=C(c4[n]3cccc4)c3ccccc3)c3c(N)cccc3)OC(=N[N]1=C(c1[n]2cccc1)c1ccccc1)c1ccccc1N.C(C)O
• Title of publication: Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide
• Authors of publication: Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.5214 ± 0.0006 Å
• b: 11.2399 ± 0.0008 Å
• c: 16.4854 ± 0.0011 Å
• α: 79.27 ± 0.006°
• β: 85.438 ± 0.005°
• γ: 83.472 ± 0.005°
• Cell volume: 1899.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1529
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No