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. Author manuscript; available in PMC: 2007 Jan 31.
Published in final edited form as: Acta Crystallogr Sect E Struct Rep Online. 2006 Jun;62(6):m1219–m1220. doi: 10.1107/S160053680601244X
Refinement
Refinement on F2 w = 1/[σ2(Fo2) + (0.0365P)2]
R[F2 > 2σ(F2)] = 0.048   where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.082 (Δ/σ)max = 0.001
S = 1.04 Δρmax = 0.91 e Å–3
6366 reflections Δρmin = –0.33 e Å–3
383 parameters Absolute structure: Flack (1983),
H-atom parameters constrained  2752 Friedel pairs
Flack parameter: 0.002 (11)