Information card for entry 2007665

Structure parameters

• Chemical name: (N,N,N',N'-Tetramethylethylenediamine-N,N')bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)
• Formula: C16 H18 F12 Fe N2 O4
• Calculated formula: C16 H18 F12 Fe N2 O4
• SMILES: C(C1=CC(C(F)(F)F)=[O][Fe]23(O1)([N](C)(C)CC[N]2(C)C)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)(F)(F)F
• Title of publication: (<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine-<i>N</i>,<i>N</i>')bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II)
• Authors of publication: Dickman, Michael H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: IUC9800048
• a: 9.1202 ± 0.0005 Å
• b: 14.743 ± 0.0008 Å
• c: 17.7793 ± 0.0009 Å
• α: 90°
• β: 102.389 ± 0.001°
• γ: 90°
• Cell volume: 2334.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No