| Crystal data |
|
M
r
|
447.88 |
451.65 |
| Crystal system, space group |
Monoclinic, C2/c
|
Monoclinic, C2/c
|
| Temperature (K) |
298 |
298 |
|
a, b, c (Å) |
13.3577 (7), 10.2279 (5), 8.7922 (5) |
13.0711 (3), 10.1772 (2), 8.74476 (19) |
| β (°) |
108.885 (6) |
108.527 (3) |
|
V (Å3) |
1136.53 (11) |
1103.00 (4) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
1.85 |
2.44 |
| Crystal size (mm) |
0.05 × 0.04 × 0.02 |
0.11 × 0.04 × 0.03 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Single source at offset/far, HyPix |
XtaLAB Synergy, Single source at offset/far, HyPix |
| Absorption correction |
Numerical (CrysAlis PRO; Rigaku OD, 2021 ▸) |
Numerical (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.938, 0.968 |
0.853, 0.962 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
5256, 1316, 1178 |
9320, 1328, 1281 |
|
R
int
|
0.027 |
0.021 |
| (sin θ/λ)max (Å−1) |
0.653 |
0.660 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.027, 0.077, 1.11 |
0.018, 0.056, 1.14 |
| No. of reflections |
1316 |
1328 |
| No. of parameters |
97 |
97 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.90, −0.51 |
0.42, −0.36 |
