| Crystal data |
| Chemical formula |
(C2H5N4)[PbBr3] |
|
M
r
|
532.02 |
| Crystal system, space group |
Orthorhombic, Pna21
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
14.4941 (3), 7.9506 (2), 8.0569 (2) |
|
V (Å3) |
928.45 (4) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
31.02 |
| Crystal size (mm) |
0.26 × 0.13 × 0.09 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2024 ▸) |
|
Tmin, Tmax
|
0.022, 0.149 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11100, 2209, 2054 |
|
R
int
|
0.043 |
| (sin θ/λ)max (Å−1) |
0.709 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.022, 0.047, 1.03 |
| No. of reflections |
2209 |
| No. of parameters |
92 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.08, −1.00 |
| Absolute structure |
Flack x determined using 769 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.025 (7) |
