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. 2012 Mar 3;68(Pt 4):o932. doi: 10.1107/S1600536812008124
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)] = 0.048 H-atom parameters constrained
wR(F2) = 0.119 w = 1/[σ2(Fo2) + (0.0414P)2] where P = (Fo2 + 2Fc2)/3
S = 0.95 (Δ/σ)max < 0.001
3493 reflections Δρmax = 0.21 e Å3
254 parameters Δρmin = −0.21 e Å3
0 restraints Extinction correction: SHELXTL-Plus (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 constraints Extinction coefficient: 0.0125 (17)
Primary atom site location: structure-invariant direct methods