Information card for entry 2018725

Structure parameters

• Chemical name: Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]nickel(II)
• Formula: C18 H24 N2 Ni O6
• Calculated formula: C18 H24 N2 Ni O6
• SMILES: c12CC[OH][Ni]3([n]1cccc2)([n]1c(cccc1)CC[OH]3)(OC(=O)C)OC(=O)C
• Title of publication: A new polymorphic form of bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]nickel(II)
• Authors of publication: Trdin, Miha; Lah, Nina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m359 - m362
• a: 8.4292 ± 0.0003 Å
• b: 12.4129 ± 0.0004 Å
• c: 12.085 ± 0.0004 Å
• α: 90°
• β: 131.175 ± 0.002°
• γ: 90°
• Cell volume: 951.76 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes