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. 2009 Feb 21;65(Pt 3):m298–m299. doi: 10.1107/S1600536809005522
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) = 0.136 Method = Modified Sheldrick w = 1/[σ2(F2) + (0.07P)2 + 0.99P], where P = [max(Fo2,0) + 2Fc2]/3
S = 1.08 (Δ/σ)max = 0.0003
2402 reflections Δρmax = 0.52 e Å3
136 parameters Δρmin = −0.47 e Å3
0 restraints