Information card for entry 2010802

Structure parameters

• Chemical name: Acetatodiaqua[3-(salicyloylhydrazone)butan-2-one oximato]nickel(II) ethanol solvate
• Formula: C15 H25 N3 Ni O8
• Calculated formula: C15 H25 N3 Ni O8
• SMILES: [Ni]([OH2])([OH2])12([N](NC(=[O]2)c2ccccc2[O-])=C(C(=[N]1O)C)C)OC(=O)C.OCC
• Title of publication: Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate
• Authors of publication: Song, You; Xu, Yan; Zhu, Dun-Ru; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 430 - 431
• a: 7.412 ± 0.0015 Å
• b: 11.505 ± 0.002 Å
• c: 13.255 ± 0.003 Å
• α: 103.13 ± 0.03°
• β: 103.97 ± 0.03°
• γ: 106.8 ± 0.03°
• Cell volume: 995 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.122
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No