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)] = 0.046 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.128 |
w = 1/[σ2(Fo2) + (0.0582P)2 + 0.2086P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 |
(Δ/σ)max < 0.001 |
3118 reflections |
Δρmax = 0.16 e Å−3
|
226 parameters |
Δρmin = −0.16 e Å−3
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4 restraints |
Extinction correction: SHELXL2018/3 (Sheldrick 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
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0 constraints |
Extinction coefficient: 0.011 (3) |
Primary atom site location: structure-invariant direct methods |
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