Refinement on F2
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Secondary atom site location: structure-invariant direct methods |
Least-squares matrix: full |
Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.054 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.124 |
w = 1/[σ2(Fo2) + (0.0392P)2 + 0.2859P] where P = (Fo2 + 2Fc2)/3 |
S = 1.08 |
(Δ/σ)max < 0.001 |
3424 reflections |
Δρmax = 0.15 e Å−3
|
244 parameters |
Δρmin = −0.15 e Å−3
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2 restraints |
Extinction correction: SHELXL2018/3 (Sheldrick 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
0 constraints |
Extinction coefficient: 0.0058 (17) |
Primary atom site location: structure-invariant direct methods |
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