| Crystal data |
| Chemical formula |
[BaZn(C20H15O2)2Cl2(C3H8O2)4] |
|
M
r
|
1152.62 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c () |
9.706(3), 10.643(3), 25.073(6) |
| , , () |
89.62(3), 89.26(3), 82.73(3) |
|
V (3) |
2569.0(12) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
1.39 |
| Crystal size (mm) |
0.31 0.23 0.21 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction KM-4-CCD |
| Absorption correction |
Analytical [CrysAlis RED (Oxford Diffraction, 2010 ▸), based on expressions derived by Clark Reid (1995 ▸)] |
|
T
min, T
max
|
0.687, 0.780 |
| No. of measured, independent and observed [I > 2(I)] reflections |
24098, 12296, 10742 |
|
R
int
|
0.025 |
| (sin /)max (1) |
0.705 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.035, 0.100, 1.14 |
| No. of reflections |
12296 |
| No. of parameters |
617 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
0.89, 0.57 |
