| Crystal data |
| Chemical formula |
[CdI2(C36H40N6)] |
[ZnCl2(C36H40N6)]·0.6CH2Cl2
|
|
M
r
|
922.94 |
743.99 |
| Crystal system, space group |
Monoclinic, I2/a
|
Triclinic, P
|
| Temperature (K) |
223 |
223 |
|
a, b, c (Å) |
12.8370 (7), 20.1241 (14), 15.2568 (9) |
11.9196 (8), 12.1208 (8), 13.919 (1) |
| α, β, γ (°) |
90, 110.871 (6), 90 |
98.222 (8), 100.313 (8), 107.580 (7) |
|
V (Å3) |
3682.7 (4) |
1843.9 (2) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
2.30 |
0.93 |
| Crystal size (mm) |
0.40 × 0.10 × 0.10 |
0.30 × 0.10 × 0.10 |
| |
| Data collection |
| Diffractometer |
STOE IPDS 1 |
STOE IPDS 1 |
| Absorption correction |
Multi-scan (MULABS; Spek, 2020 ▸) |
Multi-scan (MULABS; Spek, 2020 ▸) |
|
T
min, T
max
|
0.961, 1.000 |
0.983, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14308, 3566, 2549 |
14512, 6654, 3490 |
|
R
int
|
0.031 |
0.054 |
| (sin θ/λ)max (Å−1) |
0.615 |
0.615 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.072, 0.95 |
0.043, 0.117, 0.79 |
| No. of reflections |
3566 |
6654 |
| No. of parameters |
207 |
437 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.15, −0.88 |
0.75, −0.35 |
