Information card for entry 8102095

Structure parameters

• Chemical name: trans-diethanol-bis(hexafluoroacetyl acetonato)nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl-3-oxide) solvate
• Formula: C25 H29 F12 N2 Ni O8 S
• Calculated formula: C25 H29 F12 N2 Ni O8 S
• Title of publication: Crystal structure of trans-diethanol-bis(hexafluoroacetylacetonato)- nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl- 3-oxide solvate, Ni(C~2~H~5~OH)~2~[C~3~HO~2~(CF~3~)~2~]~2~ · C~7~H~15~N~2~O~2~S
• Authors of publication: Wang, L.-Y.; Wang, X.-Q.; Jiang, K.; Ma, L.-F.; Wang, J.-G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 143 - 145
• a: 8.1047 ± 0.0004 Å
• b: 23.9262 ± 0.0012 Å
• c: 35.7168 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6926 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No