Refinement on F2
|
Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.033 |
w = 1/[σ2(Fo2) + (0.0708P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.105 |
(Δ/σ)max < 0.001 |
S = 1.08 |
Δρmax = 1.28 e Å−3
|
7113 reflections |
Δρmin = −0.52 e Å−3
|
398 parameters |
Absolute structure: Flack x determined using 2807 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
1 restraint |
Absolute structure parameter: −0.08 (3) |
Primary atom site location: structure-invariant direct methods |
|