Information card for entry 7025990

Structure parameters

• Formula: C32 H34 Cl4 N8 Ni O8
• Calculated formula: C32 H34 Cl4 N8 Ni O8
• SMILES: c12c(n(c(=O)c(c1C)C#N)CC)O[Ni]1([N](=N2)c2cc(c(cc2)Cl)Cl)([OH]C)([N](=Nc2c(n(c(=O)c(c2C)C#N)CC)O1)c1cc(c(cc1)Cl)Cl)[OH]C.O.O
• Title of publication: The first observation of azo-hydrazone and cis-trans tautomerisms for disperse yellow dyes and their nickel(II) and copper(II) complexes.
• Authors of publication: You, Wei; Zhu, Hao-Yu; Huang, Wei; Hu, Bin; Fan, Ying; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7876 - 7880
• a: 21.943 ± 0.003 Å
• b: 24.179 ± 0.004 Å
• c: 7.5298 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3995 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No