| Crystal data |
| Chemical formula |
(C18H23N2)2[CdI4] |
C18H23N2
+·C7H7O4S−·H2O |
|
M
r
|
1154.77 |
472.59 |
| Crystal system, space group |
Monoclinic, C2/c
|
Triclinic, P
|
| Temperature (K) |
296 |
296 |
|
a, b, c (Å) |
21.6649 (18), 14.9748 (12), 14.9744 (11) |
8.2481 (6), 9.7963 (9), 15.5409 (14) |
| α, β, γ (°) |
90, 123.621 (2), 90 |
94.283 (5), 101.647 (5), 99.112 (5) |
|
V (Å3) |
4045.4 (6) |
1206.93 (18) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
3.62 |
0.17 |
| Crystal size (mm) |
0.15 × 0.15 × 0.10 |
0.38 × 0.30 × 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.613, 0.713 |
0.940, 0.969 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
37329, 5003, 2802 |
25709, 4253, 2396 |
|
R
int
|
0.070 |
0.167 |
| (sin θ/λ)max (Å−1) |
0.666 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.043, 0.091, 1.02 |
0.080, 0.161, 1.07 |
| No. of reflections |
5003 |
4253 |
| No. of parameters |
207 |
306 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.23, −0.87 |
0.30, −0.22 |
