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. 2022 Mar 31;7(Pt 3):x220342. doi: 10.1107/S241431462200342X
Refinement on F2 H-atom parameters constrained
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0624P)2] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.042 (Δ/σ)max < 0.001
wR(F2) = 0.100 Δρmax = 0.28 e Å3
S = 1.04 Δρmin = −0.30 e Å3
2915 reflections Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
211 parameters Extinction coefficient: 0.029 (8)
1 restraint Absolute structure: Flack x determined using 1139 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
Hydrogen site location: inferred from neighbouring sites Absolute structure parameter: 0.00 (4)