| Crystal data |
| Chemical formula |
[ReBr(C17H14NP)(CO)3]·2CHCl3
|
[ReBr(C5H11N)(C17H14NP)(CO)3] |
|
M
r
|
852.14 |
698.55 |
| Crystal system, space group |
Monoclinic, P21/c
|
Triclinic, P
|
| Temperature (K) |
150 |
150 |
|
a, b, c (Å) |
14.194 (4), 12.314 (4), 16.249 (5) |
9.1384 (17), 9.8348 (18), 15.671 (3) |
| α, β, γ (°) |
90, 92.701 (4), 90 |
82.956 (2), 82.047 (2), 69.765 (2) |
|
V (Å3) |
2836.7 (15) |
1304.5 (4) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
6.34 |
6.28 |
| Crystal size (mm) |
0.16 × 0.13 × 0.05 |
0.07 × 0.04 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2012 ▸) |
Numerical (SADABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.386, 0.746 |
0.560, 0.858 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19979, 5550, 4526 |
10214, 5113, 4493 |
|
R
int
|
0.048 |
0.042 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.026, 0.065, 0.99 |
0.042, 0.082, 1.11 |
| No. of reflections |
5550 |
5113 |
| No. of parameters |
317 |
303 |
| No. of restraints |
0 |
1 |
| H-atom treatment |
H-atom parameters constrained |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.39, −0.35 |
1.96, −1.79 |
