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. 2014 Jun 14;70(Pt 7):m260. doi: 10.1107/S1600536814013282
Refinement on F2 Primary atom site location: iterative
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.023 H-atom parameters constrained
wR(F2) = 0.053 w = 1/[σ2(Fo2) + (0.019P)2 + 0.7904P] where P = (Fo2 + 2Fc2)/3
S = 1.08 (Δ/σ)max = 0.001
2592 reflections Δρmax = 0.39 e Å3
147 parameters Δρmin = −0.56 e Å3
0 restraints