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. 2018 Oct 9;74(Pt 11):1553–1560. doi: 10.1107/S2056989018014020
Refinement on F2 Hydrogen site location: mixed
Least-squares matrix: full H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.058 w = 1/[σ2(Fo2) + (0.1064P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.151 (Δ/σ)max < 0.001
S = 1.03 Δρmax = 0.35 e Å3
1596 reflections Δρmin = −0.20 e Å3
124 parameters Absolute structure: Flack x determined using 474 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
0 restraints Absolute structure parameter: 0.2 (3)