Table 4.
Crystal data and structure refinement for [Au(kin)(PPh3)] (1).
| Empirical formula Formula weight Temperature Wavelength Crystal system Space group Unit cell dimensions Volume Z Density (calculated) Absorption coefficient F(000) Crystal size θ range for data collection Index ranges Reflections collected Independent reflections Completeness to θ = 25.242° Absorption correction Refinement method Data/restraints/parameters Goodness-of-fit on F2 Final R indices [I > 2σ(I)] R indices (all data) Extinction coefficient |
C28 H23 Au N5 O P 673.45 293(2) K 0.71073 Å Triclinic P-1 a = 10.050(4) Å, α = 88.980(12)° b = 11.779(5) Å, β = 79.919(15)° c = 13.847(5) Å, γ = 70.122(19)° 1516.2(10) Å3 2 1.475 g/cm3 4.930 mm−1 656 0.08 × 0.08 × 0.06 mm 1.84 to 27.59°. −13 ≤ h ≤ 13, −15≤ ≤ k ≤ 15, −17 ≤ l ≤17 41,317 6986 [R(int) = 0.0744] 100.0% Semi-empirical from equivalents Full-matrix least-squares on F2 6986/0/325 1.044 R1 = 0.0313, wR2 = 0.0546 R1 = 0.0539, wR2 = 0.0602 n/a |