Information card for entry 2231329

Structure parameters

• Chemical name: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene-κ<i>O</i>]-4- methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>}(pyridine-κ<i>N</i>)nickel(II)
• Formula: C21 H18 Br N3 Ni O2
• Calculated formula: C21 H18 Br N3 Ni O2
• SMILES: [Ni]12([N](N=C(O2)c2ccc(C)cc2)=C(c2c(O1)ccc(Br)c2)C)[n]1ccccc1
• Title of publication: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene-κ<i>O</i>]-4-methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>}(pyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Zheng, Chang-Zheng; Wang, Liang; Liu, Juan; Wang, Yu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1132
• a: 32.376 ± 0.018 Å
• b: 6.145 ± 0.004 Å
• c: 22.752 ± 0.013 Å
• α: 90°
• β: 122.063 ± 0.008°
• γ: 90°
• Cell volume: 3836 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes