| Crystal data |
| Chemical formula |
Na+C3H9B12Cl11N−·SO2
|
|
M
r
|
665.83 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
9.1943 (3), 12.9081 (4), 19.4486 (5) |
|
V (Å3) |
2308.19 (11) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.44 |
| Crystal size (mm) |
0.06 × 0.05 × 0.05 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction Xcalibur, Eos, Gemini ultra |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.984, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10389, 4967, 4560 |
|
R
int
|
0.032 |
| (sin θ/λ)max (Å−1) |
0.639 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.031, 0.064, 1.04 |
| No. of reflections |
4967 |
| No. of parameters |
283 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.32, −0.44 |
| Absolute structure |
Flack x determined using 1789 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
−0.09 (5) |
