| Crystal data |
| Chemical formula |
[Mo(C20H18N2O2)O2]·2C3H7NO |
[Mo(C36H56N2O2)O2]·2CH4O |
|
M
r
|
592.49 |
740.84 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/n
|
| Temperature (K) |
100 |
105 |
|
a, b, c (Å) |
9.601, 12.860, 21.428 |
18.4889 (14), 10.9722 (8), 19.1517 (14) |
| α, β, γ (°) |
91.44, 91.49, 93.22 |
90, 94.035 (2), 90 |
|
V (Å3) |
2639.8 |
3875.6 (5) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.54 |
0.38 |
| Crystal size (mm) |
0.34 × 0.29 × 0.29 |
0.2 × 0.18 × 0.1 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.664, 0.737 |
0.672, 0.750 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
146655, 7625, 6364 |
29075, 9532, 8724 |
|
R
int
|
0.056 |
0.026 |
| (sin θ/λ)max (Å−1) |
0.641 |
0.667 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.065, 1.06 |
0.028, 0.070, 1.07 |
| No. of reflections |
7625 |
9532 |
| No. of parameters |
683 |
440 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.38 |
0.52, −0.52 |
