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. 2015 May 13;71(Pt 6):609–617. doi: 10.1107/S2056989015008233
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.046 w = 1/[σ2(Fo2) + (0.0759P)2 + 0.9452P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.129 (Δ/σ)max = 0.001
S = 1.04 Δρmax = 0.42 e Å3
12840 reflections Δρmin = −0.31 e Å3
874 parameters Absolute structure: Refined as an inversion twin.
0 restraints Absolute structure parameter: 0.152 (16)