Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.065 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.166 |
w = 1/[σ2(Fo2) + (0.0659P)2 + 0.5295P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 |
(Δ/σ)max = 0.001 |
5845 reflections |
Δρmax = 0.38 e Å−3
|
284 parameters |
Δρmin = −0.30 e Å−3
|
2 restraints |
Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
Primary atom site location: structure-invariant direct methods |
Extinction coefficient: 0.0163 (19) |