| Crystal data |
| Chemical formula |
[Na(C14H12NO7S)]·C2H6O |
|
M
r
|
453.43 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
173 |
|
a, b, c (Å) |
9.9014 (5), 10.7214 (6), 11.9401 (6) |
| α, β, γ (°) |
69.789 (3), 71.074 (3), 66.439 (3) |
|
V (Å3) |
1064.45 (10) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.22 |
| Crystal size (mm) |
0.36 × 0.23 × 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.679, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15328, 4340, 3259 |
|
R
int
|
0.039 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.050, 0.133, 1.05 |
| No. of reflections |
4340 |
| No. of parameters |
308 |
| No. of restraints |
22 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.47, −0.41 |
