Refinement on F2
|
Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.037 |
w = 1/[σ2(Fo2) + (0.0771P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.098 |
(Δ/σ)max < 0.001 |
S = 1.06 |
Δρmax = 0.36 e Å−3
|
6334 reflections |
Δρmin = −0.22 e Å−3
|
451 parameters |
Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
0 restraints |
Extinction coefficient: 0.00043 (12) |
Primary atom site location: structure-invariant direct methods |
Absolute structure: Flack (1983), 2633 Friedel pairs |
Secondary atom site location: difference Fourier map |
Flack parameter: 0.04 (10) |