| Crystal data |
| Chemical formula |
C46H30N8O2Si |
C44H24I2N8O2Si |
C52H42N8O2Si |
|
M
r
|
754.87 |
978.60 |
839.03 |
| Crystal system, space group |
Monoclinic, P21
|
Monoclinic, P21/c
|
Orthorhombic, I
b
c
a
|
| Temperature (K) |
147 |
147 |
220 |
|
a, b, c (Å) |
10.2566 (4), 16.5665 (8), 11.5120 (5) |
12.6431 (6), 19.587 (1), 7.5403 (4) |
10.9239 (3), 25.7282 (7), 33.2065 (8) |
| α, β, γ (°) |
90, 115.860 (3), 90 |
90, 103.222 (1), 90 |
90, 90, 90 |
|
V (Å3) |
1760.20 (13) |
1817.78 (16) |
9332.8 (4) |
|
Z
|
2 |
2 |
8 |
| Radiation type |
Cu Kα |
Mo Kα |
Cu Kα |
| μ (mm−1) |
1.04 |
1.82 |
0.83 |
| Crystal size (mm) |
0.27 × 0.08 × 0.03 |
0.40 × 0.22 × 0.04 |
0.12 × 0.12 × 0.01 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEX DUO CCD |
Bruker Kappa APEX DUO CCD |
Bruker Kappa APEX DUO CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2011 ▸) |
Multi-scan (SADABS; Bruker, 2011 ▸) |
Multi-scan (TWINABS; Bruker, 2007 ▸) |
|
T
min, T
max
|
0.606, 0.753 |
0.635, 0.746 |
0.621, 0.753 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11133, 5548, 4909 |
31089, 4119, 3721 |
120855, 4085, 2969 |
|
R
int
|
0.042 |
0.024 |
0.104 |
| (sin θ/λ)max (Å−1) |
0.595 |
0.650 |
0.596 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.044, 0.111, 1.03 |
0.037, 0.101, 1.07 |
0.066, 0.208, 1.08 |
| No. of reflections |
5548 |
4119 |
4085 |
| No. of parameters |
516 |
259 |
287 |
| No. of restraints |
1 |
0 |
4 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.44 |
2.25, −1.33 |
0.40, −0.36 |
| Absolute structure |
Flack (1983 ▸), 2431 Friedel pairs |
– |
– |
| Absolute structure parameter |
0.51 (4) |
– |
– |
