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. 2023 Sep 5;13(37):26122–26133. doi: 10.1039/d3ra04289h

Crystal data and structure refinement for [(C4H9)4P]2Cd2Cl6 crystal.

Crystal data
Chemical formula C32H72P2Cd2Cl6
Molecular weight (g mol−1) 956.36
Crystal system Triclinic
Space group P
Temperature (K) 296
a, b, c (Å) 11.972(1), 15.418(1), 15.426(2)
α, β, γ (°) 68.71(2), 73.20 (3), 74.39(2)
V3) 2496.4
Z 2
Radiation type Mo Kα
μ (mm−1) 1.25
Crystal size (mm) 0.32 × 0.27 × 0.23
No. of measured, independent and observed [I > 2σ(I)] reflections 78 565, 9776, 5121
R int 0.061
D cal (Mg m−3) 1.272
R [F2 > 2σ(F2)], wR(F2), S 0.06, 0.218, 1.15
No. of reflections 9776
No. of parameters 388
Range of h k l h = − 15 → 15
k = − 18 → 19
l = − 19 → 19
θ range for data collection (°) 1.4–12.8
Δρmax, Δρmin (e Å−3) 0.63, − 0.59