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. 2023 Dec 14;14(51):11565–11572. doi: 10.1021/acs.jpclett.3c02705

Table 1. CD Maxima along the Three Principal Directions, Structural Parameters Δz–Pb–eq, Δz–X–eq, Δz–X–ax, and ΔrHB, and Lattice Parameters in Å for the Chiral Perovskites MHA2PbI4, MBA2PbI4, 4-Cl–MBA2PbI4, and 4-Cl–MBA2PbBr4.

Spacer CDx,max CDy,max CDz,max Δz–Pb–eq Δz–X–eq Δz–X–ax ΔrHB a b c
MBA 11.93 7.74 8.10 0.05 0.03 0.04 0.017 8.74 9.12 28.60
MHA 49.58 66.71 4.94 0.17 0.09 0.17 0.030 8.81 8.80 33.72
4-Cl-MBA (I) 89.90 120.09 2.33 0.17 0.52 0.27 0.064 9.09 8.22 34.95
4-Cl-MBA (Br) 139.43 169.10 5.02 0.12 0.52 0.24 0.060 8.70 7.79 35.40