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. 2010 Mar 17;66(Pt 4):o853. doi: 10.1107/S1600536810009165
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)] = 0.042 H-atom parameters constrained
wR(F2) = 0.101 Method = Modified Sheldrick w = 1/[σ2(F2) + (0.06P)2 + 0.76P], where P = [max(Fo2,0) + 2Fc2]/3
S = 0.93 (Δ/σ)max = 0.0003
1662 reflections Δρmax = 0.35 e Å3
199 parameters Δρmin = −0.43 e Å3
0 restraints