| Crystal data |
| Chemical formula |
C5H6IN2+·Br−
|
(C5H6IN2)[CoBr0.51Cl2.48(C5H5IN2)] |
|
M
r
|
300.93 |
629.20 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/n
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
5.2152 (2), 7.8039 (3), 10.1294 (4) |
9.6998 (7), 13.5527 (8), 13.8518 (11) |
| α, β, γ (°) |
93.3762 (12), 104.1108 (11), 96.4297 (12) |
90, 107.336 (3), 90 |
|
V (Å3) |
395.71 (3) |
1738.2 (2) |
|
Z
|
2 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
9.01 |
6.10 |
| Crystal size (mm) |
0.24 × 0.21 × 0.08 |
0.11 × 0.07 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture dual wavelength Mo/Cu |
Bruker D8 Venture dual wavelength Mo/Cu |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.605, 0.746 |
0.413, 0.492 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13418, 2412, 2346 |
15915, 4318, 3139 |
|
R
int
|
0.025 |
0.048 |
| (sin θ/λ)max (Å−1) |
0.714 |
0.668 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.012, 0.029, 1.11 |
0.040, 0.090, 1.09 |
| No. of reflections |
2412 |
4318 |
| No. of parameters |
91 |
216 |
| No. of restraints |
0 |
6 |
| 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 |
| Δρmax, Δρmin (e Å−3) |
0.48, −0.50 |
1.22, −0.78 |
