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. 2021 May 14;11(29):17658–17668. doi: 10.1039/d1ra00842k

Crystal data and structure refinement for N(SO2(2-nap))dpa, [PtCl2(NSO2(2-nap))dpa], [PtCl2(NSO2(1-nap))dpa] and [PtCl2(NSO2pipdpa)].

Crystal data N(SO2(2-nap))dpa [PtCl2(N(SO2(2-nap))dpa)] [PtCl2(NSO2(1-nap)dpa)] [PtCl2((NSO2pip)dpa)]
Empirical formula C22H19N3O2S C22H19Cl2N3O2PtS C22H19Cl2N3O2PtS C17H22Cl2N4O2PtS
M r 389.46 655.45 655.45 612.43
Crystal description Lath, colorless Needle, colorless Lath, colorless Needle, yellow
Crystal system Monoclinic Monoclinic Monoclinic Monoclinic
Space group P21/c C2/c C2/c I2/a
Crystal size (mm) 0.48 × 0.31 × 0.07 0.26 × 0.06 × 0.02 0.30 × 0.10 × 0.02 0.16 × 0.10 × 0.04
Temperature (K) 90 100 100 90
Unit cell dimensions
a (Å) 20.8714 (8) 25.9376 (10) 26.7076 (7) 17.5316 (5)
b (Å) 5.6704 (2) 9.6371 (3) 8.7572 (2) 9.5135 (2)
c (Å) 17.1989 (6) 17.6498 (6) 18.7201 (4) 24.2020 (9)
β (deg) 114.2072 (18) 97.188 (4) 91.356 (1) 91.872 (2)
V3) 1856.49 (12) 4377.1 (3) 4377.10 (18) 4034.4 (2)
Z 4 8 8 8
R[F2 > 2σ(F2)] 0.035 0.030 0.037 0.040
wR(F2) 0.102 0.070 0.080 0.077
Data/parameters 9447/253 6705/371 8404/398 11 296/244
Radiation type Mo Kα Mo Kα Mo Kα Mo Kα
Radiation wavelength (Å) 0.71073 0.71073 0.71073 0.71073
Abs coeff/μ (mm−1) 0.20 6.78 6.78 7.35
2θ max (deg) 74.2 61.2 66.6 77.2