Refinement on F2
|
H-atom parameters constrained |
Least-squares matrix: full |
w = 1/[σ2(Fo2) + (0.06P)2 + 0.078P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.032 |
(Δ/σ)max < 0.001 |
wR(F2) = 0.086 |
Δρmax = 0.25 e Å−3
|
S = 1.00 |
Δρmin = −0.22 e Å−3
|
674 reflections |
Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
101 parameters |
Extinction coefficient: 0.069 (8) |
Primary atom site location: structure-invariant direct methods |
Absolute structure: Flack (1983), with no Friedel pairs |
Secondary atom site location: difference Fourier map |
Flack parameter: −0.11 (15) |
Hydrogen site location: inferred from neighbouring sites |
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