| Empirical formula Formula weight Temperature Wavelength Crystal system Space group Unit cell dimensions
Volume Z Density (calculated) Absorption coefficient F(000) Crystal size Theta range for data collection Index ranges Reflections collected Independent reflections Completeness to theta = 67.00˚ Absorption correction Max. and min. transmission Refinement method Data/restraints/parameters Goodness-of-fit on F2 Final R indices [I > 2sigma(I)] R indices (all data) Absolute structure parameter Largest diff. peak and hole | C19H22CoN5O4S 475.41 100(2) K 1.54178 Å Monoclinic P2(1) a = 9.8179(4) Å α = 90˚. b = 7.3412(3) Å β = 106.813(3)˚. c = 14.4414(6) Å γ = 90˚. 996.37(7) Å3 2 1.585 Mg/m3 8.064 mm−1 492 0.20 × 0.08 × 0.03 mm3 3.20˚ to 72.11˚. −12 ≤ h ≤ 10, −9 ≤ k ≤ 8, −17 ≤ l ≤ 17 4709 3009 [R(int) = 0.0497] 98.4% Semi-empirical from equivalents 0.7939 and 0.584652 Full-matrix least-squares on F2 3009/1/281 0.776 R1 = 0.0408, wR2 = 0.0819 R1 = 0.0539, wR2 = 0.0861 −0.010(5) 0.587 and −0.350 e.Å−3 |