Refinement on F2
|
Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.029 |
w = 1/[σ2(Fo2) + (0.0237P)2 + 4.6956P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.075 |
(Δ/σ)max = 0.001 |
S = 1.15 |
Δρmax = 1.44 e Å−3
|
2397 reflections |
Δρmin = −1.02 e Å−3
|
137 parameters |
Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
1 restraint |
Extinction coefficient: 0.0082 (3) |
Primary atom site location: structure-invariant direct methods |
Absolute structure: Flack (1983), 1149 Freidel pairs. |
Secondary atom site location: difference Fourier map |
Absolute structure parameter: 0.034 (12) |