Information card for entry 2005352

Structure parameters

• Chemical name: [1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II)
• Formula: C12 H16 Cu F12 N2 O3
• Calculated formula: C12 H16 Cu F12 N2 O3
• SMILES: [Cu]12(OC(OC(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)[N](CC[N]2(C)C)(C)C
• Title of publication: A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]
• Authors of publication: Hynes, R. C.; Willis, C. J.; Payne, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2173 - 2176
• a: 9.9019 ± 0.0014 Å
• b: 12.2972 ± 0.0015 Å
• c: 8.9716 ± 0.0012 Å
• α: 108.28 ± 0.02°
• β: 110.66 ± 0.02°
• γ: 86.16 ± 0.02°
• Cell volume: 969.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.0936
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No