Information card for entry 2204612

Structure parameters

• Chemical name: Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^O,N,N')nickel(II) sulfate salicylhydroxamic acid
• Formula: C29 H33 N7 Ni O11 S
• Calculated formula: C29 H33 N7 Ni O11 S
• SMILES: [Ni]1234([O]=C(N[N]2=C(C(=[N]1O)C)C)c1ccccc1)[O]=C(N[N]4=C(C(=[N]3O)C)C)c1ccccc1.S(=O)(=O)([O-])[O-].ONC(=O)c1c(O)cccc1
• Title of publication: Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^<i>O,N,N</i>')nickel(II) sulfate salicylhydroxamic acid
• Authors of publication: Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1750 - m1751
• a: 7.986 ± 0.002 Å
• b: 23.781 ± 0.005 Å
• c: 17.868 ± 0.004 Å
• α: 90°
• β: 102.82 ± 0.03°
• γ: 90°
• Cell volume: 3308.8 ± 1.4 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: 0.101
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes