Refinement on F2
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Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full |
Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.024 |
Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.063 |
H atoms treated by a mixture of independent and constrained refinement |
S = 1.04 |
w = 1/[σ2(Fo2) + (0.0403P)2 + 0.2037P] where P = (Fo2 + 2Fc2)/3 |
3017 reflections |
(Δ/σ)max = 0.002 |
196 parameters |
Δρmax = 0.48 e Å−3
|
6 restraints |
Δρmin = −1.05 e Å−3
|
0 constraints |
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