| Crystal data |
| Chemical formula |
C4H8N3S+·0.5C2O4
2−
|
C7H11N2
+·C8H5N2S3
−
|
|
M
r
|
174.20 |
348.50 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/n
|
| Temperature (K) |
293 |
293 |
|
a, b, c (Å) |
6.4215 (1), 18.1227 (3), 7.2155 (2) |
9.6422 (2), 17.1758 (3), 10.6080 (2) |
| β (°) |
113.095 (3) |
99.546 (2) |
|
V (Å3) |
772.41 (3) |
1732.49 (6) |
|
Z
|
4 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
3.39 |
3.92 |
| Crystal size (mm) |
0.32 × 0.18 × 0.10 |
0.20 × 0.17 × 0.12 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Single source at home/near, HyPix3000 |
XtaLAB Synergy, Single source at home/near, HyPix3000 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) |
|
T
min, T
max
|
0.131, 1.000 |
0.123, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
3645, 1480, 1366 |
16519, 3341, 2681 |
|
R
int
|
0.019 |
0.047 |
| (sin θ/λ)max (Å−1) |
0.613 |
0.615 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.095, 1.12 |
0.047, 0.142, 1.09 |
| No. of reflections |
1480 |
3341 |
| No. of parameters |
104 |
234 |
| 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) |
0.35, −0.33 |
0.43, −0.48 |
