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Published online by Cambridge University Press: 10 January 2013
X-Ray powder diffraction data for the compound 2,2′,2″-triamino-triethylamine-Ni(II)-di-thiocyanate were obtained by transmission diffractometric methods at 20°C - 22°C. Two data sets were collected with CuKα1 radiation (λ = 1.54056 Å) one with Si as an internal standard (a = 5.430825 Å) and one without.
The deep blue crystals are orthorhombic of space group P212121. Peak positions were corrected by aid of the Si peaks in the first data set. Refinements of lattice constants from indexed reflections yielded the following values: a = 10.8524(18) Å; b = 14.7249(16) Å; c = 8.6511(11) Å; Dx = 1.542 Mg/m3. The second data set was used for a Rietveld refinement. The lattice constants obtained by this method are: a = 10.8451(5) Å; b = 14.7148 Å; c = 8.6447(4) Å.