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. 2009 Aug 15;65(Pt 9):i68. doi: 10.1107/S1600536809031559
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032 w = 1/[σ2(Fo2) + (0.044P)2 + 0.3679P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.081 (Δ/σ)max < 0.001
S = 1.17 Δρmax = 1.95 e Å3
181 reflections Δρmin = −2.53 e Å3
10 parameters Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints Extinction coefficient: 0.038 (9)