Refinement on F2
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Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.044 |
w = 1/[σ2(Fo2) + (0.0569P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.109 |
(Δ/σ)max = 0.001 |
S = 1.05 |
Δρmax = 0.51 e Å−3
|
6476 reflections |
Δρmin = −0.56 e Å−3
|
415 parameters |
Extinction correction: none |
1 restraint |
Absolute structure: Flack (1983), 2481 Friedel Pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.44 (7) |
Secondary atom site location: difference Fourier map |
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