Refinement on F2
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Hydrogen site location: mixed |
Least-squares matrix: full |
H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.047 |
w = 1/[σ2(Fo2) + (0.0609P)2 + 0.410P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.133 |
(Δ/σ)max < 0.001 |
S = 1.06 |
Δρmax = 0.38 e Å−3
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4366 reflections |
Δρmin = −0.39 e Å−3
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382 parameters |
Extinction correction: SHELXL2019/2 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
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282 restraints |
Extinction coefficient: 0.0009 (3) |
Primary atom site location: structure-invariant direct methods |
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