Refinement on F2
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H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.048 |
w = 1/[σ2(Fo2) + (0.0359P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.102 |
(Δ/σ)max < 0.001 |
S = 1.04 |
Δρmax = 0.25 e Å−3
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1400 reflections |
Δρmin = −0.23 e Å−3
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116 parameters |
Extinction correction: SHELXL
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1 restraint |
Extinction coefficient: 0.039 (3) |
Primary atom site location: structure-invariant direct methods |
Absolute structure: Flack (1983), 666 Friedel pairs |
Secondary atom site location: difference Fourier map |
Absolute structure parameter: 0.1 (4) |
Hydrogen site location: inferred from neighbouring sites |
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