Refinement on F2
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H-atom parameters constrained |
Least-squares matrix: full |
Method = Modified Sheldrick
w = 1/[σ2(F2) + ( 0.01P)2 + 0.86P], where P = [max(Fo2,0) + 2Fc2]/3 |
R[F2 > 2σ(F2)] = 0.025 |
(Δ/σ)max = 0.001 |
wR(F2) = 0.052 |
Δρmax = 0.37 e Å−3
|
S = 1.00 |
Δρmin = −0.52 e Å−3
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2658 reflections |
Extinction correction: Larson (1970), Equation 22 |
138 parameters |
Extinction coefficient: 75 (8) |
0 restraints |
Absolute structure: Flack (1983), 1102 Friedel-pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.002 (10) |
Hydrogen site location: inferred from neighbouring sites |
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