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. 2018 Aug 10;74(Pt 9):1215–1217. doi: 10.1107/S2056989018010770
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.042 w = 1/[σ2(Fo2) + (0.0826P)2 + 0.0878P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.115 (Δ/σ)max = 0.015
S = 1.04 Δρmax = 0.33 e Å3
2483 reflections Δρmin = −0.21 e Å3
298 parameters Absolute structure: Flack x determined using 531 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
3 restraints Absolute structure parameter: 0.140 (12)