Information card for entry 2019581

Structure parameters

• Chemical name: (Acetamidato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate
• Formula: C14 H32 F6 N5 Ni O P
• Calculated formula: C14 H32 F6 N5 Ni O P
• Title of publication: Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands
• Authors of publication: Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 640 - 643
• a: 8.0392 ± 0.001 Å
• b: 8.6289 ± 0.001 Å
• c: 15.8882 ± 0.0019 Å
• α: 78.883 ± 0.002°
• β: 89.641 ± 0.002°
• γ: 77.826 ± 0.002°
• Cell volume: 1056.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes