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. 2011 Nov 23;67(Pt 12):m1801–m1802. doi: 10.1107/S1600536811049166
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)] = 0.029 Hydrogen site location: difference Fourier map
wR(F2) = 0.073 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0349P)2 + 5.3131P] where P = (Fo2 + 2Fc2)/3
9026 reflections (Δ/σ)max = 0.002
531 parameters Δρmax = 2.02 e Å3
0 restraints Δρmin = −0.75 e Å3