Information card for entry 2218192

Structure parameters

• Chemical name: Bis{4-[(<i>Z</i>)-(4-fluorobenzylamino)phenylmethylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^N^4^,<i>O</i>}nickel(II)
• Formula: C48 H38 F2 N6 Ni O2
• Calculated formula: C48 H38 F2 N6 Ni O2
• SMILES: O1c2c(c(nn2c2ccccc2)C)C(=[N]([Ni]21Oc1c(c(nn1c1ccccc1)C)C(=[N]2Cc1ccc(F)cc1)c1ccccc1)Cc1ccc(F)cc1)c1ccccc1
• Title of publication: Bis{4-[(<i>Z</i>)-(4-fluorobenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>N</i>^4^,<i>O</i>}nickel(II)
• Authors of publication: Zhang, Xin; Zhang, Guo-Ying; Chen, Dan; Song, Yu-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m642
• a: 25.475 ± 0.002 Å
• b: 10.162 ± 0.0008 Å
• c: 15.7 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4064.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes