| Crystal data |
|
M
r
|
200.08 |
294.43 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21
|
| Temperature (K) |
150 |
150 |
|
a, b, c (Å) |
16.4359 (10), 5.1917 (3), 20.5792 (11) |
7.6563 (2), 13.2685 (4), 8.3688 (2) |
| β (°) |
110.748 (4) |
96.968 (2) |
|
V (Å3) |
1642.15 (17) |
843.89 (4) |
|
Z
|
8 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
4.93 |
0.07 |
| Crystal size (mm) |
0.28 × 0.15 × 0.08 |
0.28 × 0.15 × 0.08 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Numerical (SADABS; Bruker, 2015 ▸) |
Numerical (SADABS; Bruker, 2015 ▸) |
|
T
min, T
max
|
0.542, 0.746 |
0.894, 0.954 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17969, 2903, 2170 |
13424, 3289, 2588 |
|
R
int
|
0.052 |
0.074 |
| (sin θ/λ)max (Å−1) |
0.595 |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.030, 0.069, 1.00 |
0.040, 0.095, 1.05 |
| No. of reflections |
2903 |
3289 |
| No. of parameters |
201 |
203 |
| No. of restraints |
0 |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.45, −0.38 |
0.20, −0.19 |
