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. 2010 May 12;66(Pt 6):o1315. doi: 10.1107/S1600536810016612
Refinement on F2 Primary atom site location: structure-invariant direct methods
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 Method = Modified Sheldrick w = 1/[σ2(F2) + ( 0.06P)2 + 0.71P], where P = [max(Fo2,0) + 2Fc2]/3
S = 1.00 (Δ/σ)max = 0.0002
978 reflections Δρmax = 0.39 e Å3
109 parameters Δρmin = −0.33 e Å3
0 restraints