Information card for entry 8102467

Structure parameters

• Formula: C32 H32 F12 N4 Ni O8 S2
• Calculated formula: C32 H32 F12 N4 Ni O8 S2
• Title of publication: Crystal structure of bis(4,4,5,5-tetramethyl-2-(thiophenal-2-yl)-imidazoline-1-oxyl-3-oxide)- bis(hexafluoroacetylacetonato)nickel(II), Ni(C11H15N2O2S)2[C3HO2(CF3)2]2
• Authors of publication: Xiao-Song Wang; Xia Gao; Xiao-Lei Hou; Xiao-Qiang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 440
• a: 12.1886 ± 0.0009 Å
• b: 15.1369 ± 0.0011 Å
• c: 22.3673 ± 0.0016 Å
• α: 90°
• β: 101.895 ± 0.001°
• γ: 90°
• Cell volume: 4038.1 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No