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. Author manuscript; available in PMC: 2019 Jul 30.
Published in final edited form as: IUCrdata. 2018 Sep;3(9):x181306. doi: 10.1107/S2414314618013068
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.052 Hydrogen site location: difference Fourier map
wR(F2) = 0.152 All H-atom parameters refined
S = 1.11 w = 1/[σ2(Fo2) + (0.0701P)2 + 0.5606P] where P = (Fo2 + 2Fc2)/3
1806 reflections (Δ/σ)max < 0.001
244 parameters Δϱmax = 0.23 e Å−3
0 restraints Δϱmin = −0.24 e Å−3