| Crystal data |
| Chemical formula |
[Cr(C6H15N3)2]2[ZnCl4]3·H2O |
|
M
r
|
1260.36 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
17.281 (4), 16.753 (3), 33.405 (7) |
|
V (Å3) |
9671 (3) |
|
Z
|
8 |
| Radiation type |
Synchrotron, λ = 0.62998 Å |
| μ (mm−1) |
1.86 |
| Crystal size (mm) |
0.15 × 0.10 × 0.08 |
| |
| Data collection |
| Diffractometer |
ADSC Q210 CCD area detector |
| Absorption correction |
Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski et al., 1997 ▸) |
|
T
min, T
max
|
0.768, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
95478, 13601, 12445 |
|
R
int
|
0.050 |
| (sin θ/λ)max (Å−1) |
0.696 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.025, 0.071, 1.06 |
| No. of reflections |
13601 |
| No. of parameters |
493 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.01, −0.96 |
