| Crystal data |
| Chemical formula |
[Cr2(C2H3O2)4(C27H36N4)2]·2C4H8O |
{Cr2(C2H3O2)4(C21H24N2)2] |
|
M
r
|
1261.53 |
949.02 |
| Crystal system, space group |
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
170 |
170 |
|
a, b, c (Å) |
10.6402 (7), 11.7730 (8), 15.1884 (9) |
8.3679 (5), 11.6127 (8), 13.8355 (9) |
| α, β, γ (°) |
82.353 (5), 86.526 (5), 69.248 (5) |
68.949 (5), 83.891 (5), 71.508 (5) |
|
V (Å3) |
1763.2 (2) |
1189.90 (14) |
|
Z
|
1 |
1 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.37 |
0.51 |
| Crystal size (mm) |
0.61 × 0.35 × 0.15 |
0.40 × 0.24 × 0.07 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2T |
Stoe IPDS 2T |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2015 ▸) |
Numerical (X-RED32; Stoe & Cie, 2015 ▸) |
|
Tmin, Tmax
|
0.812, 0.947 |
0.844, 0.963 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
18724, 9444, 5824 |
8474, 4174, 2894 |
|
R
int
|
0.070 |
0.071 |
| (sin θ/λ)max (Å−1) |
0.687 |
0.595 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.048, 0.133, 0.94 |
0.042, 0.112, 0.91 |
| No. of reflections |
9444 |
4174 |
| No. of parameters |
534 |
297 |
| No. of restraints |
545 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.47, −0.57 |
0.50, −0.51 |
