| Crystal data |
| Chemical formula |
[IrClH(C55H50O2P4)]Cl·2.75CH2Cl2
|
[Ir(C4H7O2)Cl(C55H50O2P4)]Cl·CH4O·0.5H2O |
[IrCl2(C55H50O2P4)]Cl·CH4O·2H2O |
[Ir(C4H7O2)(C55H50O2P4)(CO)]Cl2·2CH2Cl2·1.5H2O |
|
M
r
|
1364.48 |
1258.07 |
1233.45 |
1441.91 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
233 |
233 |
233 |
233 |
|
a, b, c (Å) |
12.4425 (2), 22.4020 (3), 22.5393 (3) |
12.4253 (3), 13.7081 (4), 17.6780 (6) |
11.2371 (2), 12.9144 (2), 19.2371 (3) |
11.7326 (2), 13.8815 (2), 22.2615 (3) |
| α, β, γ (°) |
90, 94.826 (1), 90 |
93.152 (2), 97.960 (2), 103.771 (2) |
89.439 (1), 77.863 (1), 83.114 (1) |
75.477 (1), 86.508 (1), 65.212 (1) |
|
V (Å3) |
6260.26 (16) |
2884.18 (15) |
2709.27 (8) |
3182.38 (9) |
|
Z
|
4 |
2 |
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
2.59 |
2.57 |
2.78 |
2.50 |
| Crystal size (mm) |
0.11 × 0.08 × 0.05 |
0.15 × 0.05 × 0.02 |
0.11 × 0.05 × 0.03 |
0.31 × 0.23 × 0.19 |
| |
| Data collection |
| Diffractometer |
Nonius KappaCCD |
Nonius KappaCCD |
Nonius KappaCCD |
Nonius KappaCCD |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
39699, 11006, 8888 |
13821, 7453, 6326 |
17984, 9526, 8083 |
23329, 12496, 11695 |
|
R
int
|
0.045 |
0.037 |
0.035 |
0.024 |
| θmax (°) |
25.0 |
22.4 |
25.0 |
26.0 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.112, 1.04 |
0.044, 0.106, 1.07 |
0.034, 0.073, 1.05 |
0.028, 0.070, 1.05 |
| No. of reflections |
11006 |
7453 |
9526 |
12496 |
| No. of parameters |
711 |
674 |
626 |
751 |
| No. of restraints |
2 |
1 |
1 |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.03, −0.86 |
0.90, −0.96 |
0.75, −1.01 |
0.97, −1.29 |
