Skip to main content
. 2018 Oct 26;74(Pt 11):1658–1664. doi: 10.1107/S2056989018014895
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)] = 0.026 w = 1/[σ2(Fo2) + (0.0295P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.054 (Δ/σ)max < 0.001
S = 0.98 Δρmax = 0.17 e Å3
2432 reflections Δρmin = −0.16 e Å3
148 parameters Absolute structure: Flack x determined using 804 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013).
2 restraints Absolute structure parameter: 0.005 (17)
Primary atom site location: dual