| Crystal data |
| Chemical formula |
[Li4(C3H2N3O3)4(H2O)7] |
|
M
r
|
666.17 |
| Crystal system, space group |
Triclinic, P\overline{1} |
| Temperature (K) |
296 |
|
a, b, c (Å) |
8.8530 (5), 9.0592 (6), 9.6621 (6) |
| α, β, γ (°) |
67.806 (2), 62.887 (2), 68.580 (2) |
|
V (Å3) |
620.89 (7) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.16 |
| Crystal size (mm) |
0.15 × 0.15 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEX3 CMOS |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
Tmin, Tmax
|
0.707, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17961, 2181, 1917 |
|
R
int
|
0.027 |
| (sin θ/λ)max (Å−1) |
0.594 |
| |
| Refinement |
|
R[F2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.115, 1.14 |
| No. of reflections |
2181 |
| No. of parameters |
250 |
| No. of restraints |
12 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.32 |
