Information card for entry 2007431

Structure parameters

• Formula: C38 H26 F24 N2 Ni2 O10 S2
• Calculated formula: C38 H26 F24 N2 Ni2 O10 S2
• SMILES: C(c1ccccc1)(=N(=[O]1[Ni]23([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O](=N(C)=C(c2ccccc2)SC)[Ni]231([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)C)SC
• Title of publication: Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine <i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)]
• Authors of publication: Dickman, Michael H.; Ward, Jeffrey P.; Villamena, Frederick A.; Crist, DeLanson R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 929 - 930
• a: 11.1046 ± 0.0005 Å
• b: 15.0729 ± 0.0008 Å
• c: 14.2998 ± 0.0007 Å
• α: 90°
• β: 100.205 ± 0.001°
• γ: 90°
• Cell volume: 2355.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No