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. 2024 Aug 30;80(Pt 9):986–992. doi: 10.1107/S2056989024008375
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.017 All H-atom parameters refined
wR(F2) = 0.043 w = 1/[σ2(Fo2) + (0.0318P)2] where P = (Fo2 + 2Fc2)/3
S = 1.15 (Δ/σ)max < 0.001
1696 reflections Δρmax = 0.72 e Å3
119 parameters Δρmin = −1.87 e Å3
13 restraints Absolute structure: Flack x determined using 668 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methods Absolute structure parameter: −0.013 (14)