| Crystal data |
| Chemical formula |
[Ti(C24H33O2)Cl3(C4H8O)] |
|
M
r
|
579.86 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
125 |
|
a, b, c (Å) |
10.289 (4), 7.141 (3), 40.330 (16) |
| β (°) |
95.164 (7) |
|
V (Å3) |
2951 (2) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.59 |
| Crystal size (mm) |
0.31 × 0.11 × 0.01 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.81, 0.99 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
76791, 17956, 10069 |
|
R
int
|
0.156 |
| (sin θ/λ)max (Å−1) |
0.716 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.064, 0.124, 1.00 |
| No. of reflections |
17956 |
| No. of parameters |
653 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.56, −0.55 |
| Absolute structure |
Flack x determined using 3136 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.03 (2) |
