Information card for entry 2204022

Structure parameters

• Chemical name: Bis(pyridin-2-ylmethanolato-κ^2^N,O)bis(trifluoroacetato)nickel(II)
• Formula: C16 H14 F6 N2 Ni O6
• Calculated formula: C16 H14 F6 N2 Ni O6
• SMILES: c1cccc2C[OH][Ni]3([n]12)(OC(=O)C(F)(F)F)([n]1ccccc1C[OH]3)OC(=O)C(F)(F)F
• Title of publication: Bis(pyridin-2-ylmethanolato-κ^2^<i>N,O</i>)bis(trifluoroacetato)nickel(II)
• Authors of publication: Bacsa, John; Zhao, Hanhua; Kim R. Dunbar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1040 - m1042
• a: 12.539 ± 0.003 Å
• b: 11.113 ± 0.002 Å
• c: 13.315 ± 0.003 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 1854 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes