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. 2017 Jan 1;4(Pt 1):37–49. doi: 10.1107/S205225251601808X

Table 1. Crystallographic parameters.

CCDC No. 1479507 (sin θ/λ)max−1) 1.098
Molecular formula C10Cl8 Reflns collected 105 141
Formula weight 403.70 Unique reflns 13 899
Crystal system Monoclinic Completeness (%) 99.5
Space group P21/n Redundancy 8
a (Å) 9.7188 (1) R int 0.049
b (Å) 7.1598 (1) Spherical atom refinement
c (Å) 18.2787 (3) R 1 (F) 0.046
α (°) 90 wR 2 (F 2) 0.078
w 1, w 2 0.0266, 0.1112
β (°) 98.358 (1)  Goodness-of-fit 1.05
γ (°) 90  Δρmin, Δρmax (e Å−3) −0.62, 0.76
V3) 1258.41 (3) Multipole refinement
Z 4  Reflns used [I > 2σ(I)] 10581
ρcalc (g cm−3) 2.131  No of parameters 563
F(000) 784 R 1 (F 2) 0.024
μ (mm−1) 1.758 wR 2 (F 2) 0.048
w 1, w 2 0.0262, 0.0481
T (K) 100 (2)  Goodness-of-fit 1.003
λ (Å) 0.71073  Δρmin, Δρmax (e Å−3) all data/sin θ/λ ≤ 0.8 Å−1 −0.44, 0.47/ −0.27,0.24