Information card for entry 2240674

Structure parameters

• Chemical name: Bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)
• Formula: C43 H75 F3 N4 Ni O6
• Calculated formula: C43 H75 F3 N4 Ni O6
• Title of publication: Crystal structure of an unknown solvate of bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)
• Authors of publication: Eya'ane Meva, François; Schaarschmidt, Dieter; Rüffer, Tobias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 578 - 581
• a: 19.5285 ± 0.0003 Å
• b: 17.337 ± 0.0003 Å
• c: 14.1484 ± 0.0003 Å
• α: 90°
• β: 92.136 ± 0.002°
• γ: 90°
• Cell volume: 4786.83 ± 0.15 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0416
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes