Refinement on F2
|
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)] = 0.041 |
w = 1/[σ2(Fo2) + (0.0533P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.092 |
(Δ/σ)max < 0.001 |
S = 0.99 |
Δρmax = 0.91 e Å−3
|
2307 reflections |
Δρmin = −0.71 e Å−3
|
147 parameters |
Extinction correction: none |
3 restraints |
Absolute structure: Flack (1983), 696 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.06 (2) |
Secondary atom site location: difference Fourier map |
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