| Crystal data |
| Chemical formula |
C2H7N4O+·C12H4N7O12
−
|
|
M
r
|
541.34 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
173 |
|
a, b, c (Å) |
7.9764 (16), 8.6658 (17), 15.278 (3) |
| α, β, γ (°) |
87.79 (3), 76.18 (3), 77.59 (3) |
|
V (Å3) |
1001.4 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.16 |
| Crystal size (mm) |
0.40 × 0.20 × 0.10 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2T |
| Absorption correction |
For a sphere [the interpolation procedure of Dwiggins (1975 ▶) was used with some modification] |
|
T
min, T
max
|
0.861, 0.862 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12316, 5347, 4600 |
|
R
int
|
0.029 |
| (sin θ/λ)max (Å−1) |
0.685 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.097, 1.02 |
| No. of reflections |
5347 |
| No. of parameters |
387 |
| H-atom treatment |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.24 |
