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. 2015 Jan 14;71(Pt 2):o109–o110. doi: 10.1107/S205698901500033X
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.039 w = 1/[σ2(Fo2) + (0.0319P)2 + 0.0416P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.076 (Δ/σ)max < 0.001
S = 1.03 Δρmax = 0.14 e Å3
6013 reflections Δρmin = −0.19 e Å3
473 parameters Absolute structure: Flack x determined using 1952 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
3 restraints Absolute structure parameter: 0.06 (3)