Refinement on F2
|
Hydrogen site location: difference Fourier map |
Least-squares matrix: full |
H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.040 |
w = 1/[σ2(Fo2) + (0.0419P)2 + 2.5644P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.099 |
(Δ/σ)max < 0.001 |
S = 1.12 |
Δρmax = 0.66 e Å−3
|
2891 reflections |
Δρmin = −0.81 e Å−3
|
191 parameters |
Extinction correction: none |
1 restraint |
Absolute structure: Flack (1983), 1374 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.43 (3) |
Secondary atom site location: difference Fourier map |
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