Information card for entry 2220870

Structure parameters

• Chemical name: <i>cis</i>-[Aqua/methanol(0.45/1.55)](1,1,1-trifluoro-5,5-dimethylhexane- 2,4-dionato)nickel(II)‒<i>cis</i>-[aqua/methanol(1.49/0.51)](1,1,1-trifluoro- 5,5-dimethylhexane-2,4-dionato)nickel(II) (1/1)
• Formula: C34.05 H52.11 F12 Ni2 O12
• Calculated formula: C34.054 H52.108 F12 Ni2 O12
• Title of publication: <i>cis</i>-[Aqua/methanol(0.45/1.55)](1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato)nickel(II)‒<i>cis</i>-[aqua/methanol(1.49/0.51)](1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato)nickel(II) (1/1)
• Authors of publication: Hunter, Gerald O.; Zeller, Matthias; Leskiw, Brian D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m221 - m222
• a: 11.327 ± 0.002 Å
• b: 14.701 ± 0.003 Å
• c: 15.432 ± 0.003 Å
• α: 101.379 ± 0.003°
• β: 104.946 ± 0.003°
• γ: 107.678 ± 0.003°
• Cell volume: 2257 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.169
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes