Compound | (1) | (2) |
---|---|---|
Chemical formula | (C4H7N2)2[CoCl4] | (C4H7N2)2[ZnCl4] |
Compound weight | 366.96 | 373.40 |
Temperature (K) | 100 (2) | 100 (10) |
Crystal system | Monoclinic | Monoclinic |
Space group | C2/c | C2/c |
a (Å) | 26.9330 (17) | 26.871 (8) |
b (Å) | 7.8842 (2) | 7.9031 (18) |
c (Å) | 15.0925 (5) | 15.077 (5) |
β (°) | 111.001 (5) | 111.23 (5) |
V (Å3) | 2991.9 (2) | 2984.5 (15) |
Z | 8 | 8 |
ρcal (g cm−3) | 1.629 | 1.662 |
Crystal dimension, mm3 | 0.45 × 0.37 × 0.13 | 0.50 × 0.42 × 0.12 |
Habit-colour | Block, blue | Block, transparent |
μ (mm−1) | 1.85 | 2.35 |
θ range (deg) | θmin = 2.7, θmax = 30.7 | θmin = 2.7, θmax = 30.7 |
Index ranges | − 26 ≤ h ≤ 38 | − 38 ≤ h ≤ 29 |
− 10 ≤ k ≤ 10 | − 9 ≤ k ≤ 11 | |
− 21 ≤ l ≤ 21 | − 21 ≤ l ≤ 21 | |
Unique data | 4253 | 4197 |
Observed data [I > 2σ(I)] | 3254 | 3731 |
F(000) | 1480 | 1504 |
R1 | 0.053 | 0.050 |
wR2 | 0.132 | 0.121 |
GooF | 1.012 | 1.17 |
No. param | 156 | 157 |
Transmission factors | Tmin = 0.334; Tmax = 0.804 | Tmin = 0.387; Tmax = 0.766 |
Largest difference map hole | Δρmin = − 1.11, Δρmax = 1.44 | Δρmin = − 0.63, Δρmax = 2.36 |