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)] = 0.041 |
w = 1/[σ2(Fo2) + (0.0271P)2 + 0.5206P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.101 |
(Δ/σ)max < 0.001 |
S = 1.06 |
Δρmax = 0.62 e Å−3
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4503 reflections |
Δρmin = −0.46 e Å−3
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259 parameters |
Extinction correction: SHELXL-2018/1 (Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
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2 restraints |
Extinction coefficient: 0.0045 (10) |
Primary atom site location: dual |
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