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) |
V (Å3) | 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 (Å–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 |