Refinement on F2
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Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.038 |
w = 1/[σ2(Fo2) + (0.0556P)2 + 0.2388P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.111 |
(Δ/σ)max = 0.004 |
S = 1.04 |
Δρmax = 0.19 e Å−3
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2146 reflections |
Δρmin = −0.28 e Å−3
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179 parameters |
Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
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Primary atom site location: structure-invariant direct methods |
Extinction coefficient: 0.0200 (13) |
Secondary atom site location: difference Fourier map |
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