| 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 = 25.242˚ 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) Extinction coefficient Largest diff. peak and hole | C22H20AgN5O3 510.30 173(2) K 0.71073 Å Monoclinic P21/c a = 7.6422(6) Å b = 9.8237(8) Å c = 26.322(2) Å 1961.2(3) Å3 4 1.728 Mg/m3 1.065 mm−1 1032 0.600 × 0.250 × 0.240 mm3 1.559˚ to 25.249˚. −8 ≤ h ≤ 9, −10 ≤ k ≤ 11, −31 ≤ l ≤ 21 14,790 3457 [R(int) = 0.0329] 97.5% Semi-empirical from equivalents 0.9912 and 0.9572 Full-matrix least-squares on F2 3457 / 2 / 286 1.069 R1 = 0.0392, wR2 = 0.0976 R1 = 0.0491, wR2 = 0.1030 n/a 1.259 and −0.747 e.Å−3 |
α = 90°. β = 97.041(3)°. γ = 90°.
|