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. 2024 Jun 1;63(24):11053–11062. doi: 10.1021/acs.inorgchem.4c00606

Table 1. Crystallographic Refinement Details for 1–3.

  1 2 3
MW (g/mol) 1318.66 1244.59 1244.59
T (K) 100(2) 100(2) 100(2)
λ (K α) 0.71073 0.71073 0.71073
μ (mm1) 8.775 9.686 9.660
crystal system triclinic triclinic triclinic
space group P P P
a (Å) 9.2325(2) 9.3216(3) 9.2435(7)
b (Å) 11.1406(3) 9.3590(3) 9.6020(7)
c (Å) 11.2691(3) 11.9812(3) 11.7706(9)
α (deg) 76.880(1) 111.959(2) 92.797(2)
β (deg) 71.456(1) 93.182(2) 110.752(2)
γ (deg) 68.088(1) 106.182(2) 107.347(2)
volume (Å3) 1011.76(5) 915.92(5) 918.43(12)
Z 1 1 1
Rint 0.0348 0.0442 0.0529
R (I > 2σ) 0.0216 0.0304 0.0215
wR2 0.0461 0.0636 0.0538
GooF 1.107 1.030 1.064
residual density max and min (e/Å3) 0.96 and −0.74 1.56 and −1.17 2.10 and −1.49
CCDC no. 2252259 2252257 2252258