Skip to main content
. 2018 Apr 13;9(5):831–842. doi: 10.1039/c8md00067k

Table 1. Crystallographic data for Re–L and Cu–L.

Crystal data
CCDC deposition number CCDC 1821097 CCDC 1821098
Chemical formula C15H14N3O6ReS2 C24H28Cl2CuN4S4
M r 582.62 635.23
Crystal system Monoclinic Monoclinic
Space group P21/c P21/c
Temperature (K) 295 295
a (Å) 26.3056(13) 19.911(11)
b (Å) 9.4798(4) 8.771(4)
c (Å) 16.1346(6) 8.088(4)
β (°) 106.786(2) 93.416(15)
V3) 3852.1(3) 1409.9(12)
Z 8 2
Radiation type Mo Kα Mo Kα
μ (mm–1) 6.56 1.28
Crystal size (mm) 0.43 × 0.19 × 0.16 0.17 × 0.16 × 0.06
Absorption correction Numerical Numerical
T min, Tmax 0.29, 0.35 0.81, 0.93
Reflections
Measured 38 228 23 119
Independent 9952 2636
Observed [I > 2.0σ(I)] 6648 1881
R int 0.021 0.034
(sin θ/λ)max–1) 0.682 0.613
Refinement
R[F2 > 2σ(F2)] 0.036 0.047
wR(F2) 0.054 0.101
S 1.00 1.00
No. of reflections 6648 1881
No. of parameters 487 160
H-Atom treatment H-Atom parameters constrained H-Atom parameters constrained
Δρmax, Δρmin (e Å–3) 1.68, –2.74 0.65, –0.57