Information card for entry 2222852

Structure parameters

• Chemical name: {<i>N</i>'-[(<i>E</i>)-(5-Bromo-2- oxidophenyl)(phenyl)methylene]benzohydrazidato}pyridinenickel(II)
• Formula: C25 H18 Br N3 Ni O2
• Calculated formula: C25 H18 Br N3 Ni O2
• SMILES: [Ni]12(OC(=N[N]2=C(c2c(O1)ccc(Br)c2)c1ccccc1)c1ccccc1)[n]1ccccc1
• Title of publication: {<i>N</i>'-[(<i>E</i>)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]benzohydrazidato}pyridinenickel(II)
• Authors of publication: Zheng, Chang-Zheng; Ji, Chang-You; Chang, Xiu-Li; Zhang, Chao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m965
• a: 22.638 ± 0.005 Å
• b: 10.628 ± 0.002 Å
• c: 19.302 ± 0.004 Å
• α: 90°
• β: 108.597 ± 0.004°
• γ: 90°
• Cell volume: 4401.5 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes