| Crystal data |
| Chemical formula |
[Ir(C11H8N)2(C28H20N8)](PF6)33C2H3N |
|
M
r
|
1527.16 |
| Crystal system, space group |
Monoclinic, C
c
|
| Temperature (K) |
100 |
|
a, b, c () |
22.2647(16), 14.6139(11), 18.6288(14) |
| () |
102.447(1) |
|
V (3) |
5918.9(8) |
|
Z
|
4 |
| Radiation type |
Mo K
|
| (mm1) |
2.45 |
| Crystal size (mm) |
0.25 0.20 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2001 ▸) |
|
T
min, T
max
|
0.697, 0.930 |
| No. of measured, independent and observed [I > 2(I)] reflections |
25080, 13146, 11295 |
|
R
int
|
0.037 |
| (sin /)max (1) |
0.669 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.041, 0.093, 1.00 |
| No. of reflections |
13146 |
| No. of parameters |
824 |
| No. of restraints |
434 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
1.24, 1.00 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.384(7) |
