Information card for entry 7220468

Structure parameters

• Formula: C38 H30 Cu N8 O2
• Calculated formula: C38 H30 Cu N8 O2
• SMILES: O1[Cu]234([N](N=C(O2)c2c(N)cccc2)=C(c2ccccc2)c2[n]3cccc2)[N](N=C1c1c(cccc1)N)=C(c1[n]4cccc1)c1ccccc1
• 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: 13.2388 ± 0.0007 Å
• b: 10.7929 ± 0.0011 Å
• c: 24.2294 ± 0.0014 Å
• α: 90°
• β: 103.586 ± 0.005°
• γ: 90°
• Cell volume: 3365.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No