| Crystal data |
| Chemical formula |
[ZnI(C10H24N4)]I |
[ZnI(C10H24N4)]I3
|
|
M
r
|
519.50 |
773.30 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, I2/m
|
| Temperature (K) |
293 |
293 |
|
a, b, c (Å) |
8.3837 (3), 13.7570 (4), 14.6478 (5) |
10.0629 (12), 12.6263 (12), 16.5133 (16) |
| β (°) |
103.852 (3) |
90.921 (10) |
|
V (Å3) |
1640.25 (9) |
2097.9 (4) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
5.25 |
7.05 |
| Crystal size (mm) |
0.2 × 0.2 × 0.15 |
0.18 × 0.18 × 0.10 |
| |
| Data collection |
| Diffractometer |
Xcalibur, Eos |
Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.650, 1.000 |
0.563, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10691, 3785, 2982 |
1931, 1931, 1531 |
|
R
int
|
0.031 |
0.065 |
| (sin θ/λ)max (Å−1) |
0.684 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.053, 1.02 |
0.065, 0.209, 1.02 |
| No. of reflections |
3785 |
1931 |
| No. of parameters |
155 |
100 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.57, −0.83 |
1.86, −2.21 |
