Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.042 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.120 |
w = 1/[σ2(Fo2) + (0.0551P)2 + 0.5359P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 |
(Δ/σ)max = 0.003 |
5479 reflections |
Δρmax = 0.22 e Å−3
|
461 parameters |
Δρmin = −0.32 e Å−3
|
8 restraints |
Extinction correction: none |
Primary atom site location: structure-invariant direct methods |
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