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. 2015 Sep 17;71(Pt 10):i8–i9. doi: 10.1107/S2056989015016904
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.012 All H-atom parameters refined
wR(F2) = 0.026 w = 1/[σ2(Fo2) + (0.0107P)2 + 0.2955P] where P = (Fo2 + 2Fc2)/3
S = 1.18 (Δ/σ)max = 0.001
1004 reflections Δρmax = 0.28 e Å3
72 parameters Δρmin = −0.33 e Å3
2 restraints