| Crystal data |
| Chemical formula |
C18H20ClN4
+·C7H3N2O6
−·C7H4N2O6
|
|
M
r
|
751.07 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
7.4102 (6), 24.629 (2), 18.446 (1) |
| β (°) |
98.478 (6) |
|
V (Å3) |
3329.7 (4) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.19 |
| Crystal size (mm) |
0.36 × 0.24 × 0.20 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur Sapphire CCD detector |
| Absorption correction |
Multi-scan (CrysAlis RED; Oxford Diffraction, 2009 ▸) |
|
T
min, T
max
|
0.914, 0.962 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13700, 6870, 3811 |
|
R
int
|
0.036 |
| (sin θ/λ)max (Å−1) |
0.629 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.062, 0.133, 1.04 |
| No. of reflections |
6870 |
| No. of parameters |
507 |
| No. of restraints |
17 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.16, −0.20 |
