| Crystal data |
| Chemical formula |
[Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl |
|
M
r
|
1469.32 |
| Crystal system, space group |
Orthorhombic, Pna21
|
| Temperature (K) |
101 |
|
a, b, c (Å) |
30.247 (4), 13.713 (2), 17.205 (2) |
|
V (Å3) |
7136.2 (16) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.33 |
| Crystal size (mm) |
0.61 × 0.55 × 0.35 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.568, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
142482, 14653, 12171 |
|
R
int
|
0.071 |
| (sin θ/λ)max (Å−1) |
0.629 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.080, 0.240, 1.06 |
| No. of reflections |
14653 |
| No. of parameters |
946 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.98, −1.03 |
| Absolute structure |
Refined as an inversion twin. |
| Absolute structure parameter |
0.41 (4) |
