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. 2010 Nov 27;66(Pt 12):o3303–o3304. doi: 10.1107/S160053681004866X
Refinement on F2 0 restraints
Least-squares matrix: full H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.045 w = 1/[σ2(Fo2) + (0.0578P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.121 (Δ/σ)max < 0.001
S = 0.94 Δρmax = 0.50 e Å3
3166 reflections Δρmin = −0.27 e Å3
219 parameters