Information card for entry 2222227

Structure parameters

• Chemical name: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4- chlorobenzohydrazidato}pyridinenickel(II)
• Formula: C20 H15 Br Cl N3 Ni O2
• Calculated formula: C20 H15 Br Cl N3 Ni O2
• SMILES: [Ni]12([N](N=C(O1)c1ccc(Cl)cc1)=C(c1c(O2)ccc(Br)c1)C)[n]1ccccc1
• Title of publication: {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-chlorobenzohydrazidato}pyridinenickel(II)
• Authors of publication: Chang, Xiu-Li; Xie, Bin; Ji, Chang-You; Xiang, Yang-Guang; Zou, Li-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m794
• a: 32.43 ± 0.004 Å
• b: 6.0816 ± 0.0008 Å
• c: 22.865 ± 0.003 Å
• α: 90°
• β: 121.422 ± 0.002°
• γ: 90°
• Cell volume: 3848.3 ± 0.9 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 ± 2 K
• Number of distinct elements: 7
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0797
• 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: Yes