Powder diffraction data for N , N '-diphenylguanidinium nitrate at room and low temperatures

X-ray powder diffraction data for N , N '-diphenylguanidinium nitrate, within the temperature range of 103–293 K, are reported. The pattern at 293 K was confirmed by a fitting of the overall parameters performed with FULLPROF using the atomic parameters obtained from single-crystal studies. The compound is orthorhombic, space group Pna2 ₁ (33), with unit-cell parameters a =1.7058(4) nm, b =1.3933(3) nm, c =0.5821(1) nm, and V =1.3834(6) nm ³ . The unit-cell parameters for the other six temperatures measured were determined by performing pattern matching with FULLPROF . The unit-cell volume contracted on cooling from 1.3834(6) nm ³ to 1.3403(4) nm ³ . The thermal expansion tensor was calculated from the changes of the unit-cell parameters with temperature. The elements of the thermal expansion tensor at 293 K are α ₁₁ =125(4), α ₂₂ =57(9), and α ₃₃ =82(3)×10 ⁻⁶ K ⁻¹ .