Table 1. Crystallographic Data for {Re[TpCH3PC]}2.
chemical formula | C82H62N8Cl4Re2 |
formula mass | 1673.59 |
crystal system | orthorhombic |
crystal size (mm3) | 0.520 × 0.060 × 0.030 |
space group | Pbcn |
λ (Å) | 0.7749 |
a (Å) | 14.9614(9) |
b (Å) | 20.5775(13) |
c (Å) | 21.8546(13) |
α (deg) | 90 |
β (deg) | 90 |
γ (deg) | 90 |
Z | 4 |
V (Å3) | 6728.3(7) |
temperature (K) | 100(2) |
density (g/cm3) | 1.652 |
no. of measured reflns. | 368715 |
no. of unique reflns. | 8721 |
no. of parameters | 436 |
no. of restraints | 0 |
Rint | 0.0772 |
θ range (deg) | 2.032–31.617 |
R1, wR2 all data | 0.1094, 0.2288 |
S (GOF) all data | 1.077 |
max/min residual density (e/Å3) | 3.026/–2.096 |