| Formula |
C46H42Cu2N6O10 · 2(CH4O) |
| CCDC no |
1456947
|
| Formula weight |
1030 |
| Temperature (K) |
120 |
| Wavelength (Å) |
1.5418 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Unit cell dimensions |
|
|
a, b, c (Å) |
8.3185 (4), 17.6483 (7), 15.7257 (8) |
| β/(°) |
101.951 (4) |
| Volume (Å3) |
2258.61 (18) |
|
Z, Dcalc/(Mg m−3) |
2, 1.515 |
| Absorption coefficient (mm−1) |
1.78 |
|
F(000) |
1068 |
| Crystal size (mm3) |
0.30 × 0.25 × 0.14 |
| Crystal shape/colour |
Block, black |
|
θ range for data collection/(°) |
5.0–66.7 |
| Limiting index |
−9,9/-14,20/-13,18 |
| Reflections collected/unique |
3911/3512 [R(int) = 0.023] |
| Absorption correction |
Analytical |
| Data/restraints/parameters |
3911/3/310 |
| Goodness-of-fit on F2
|
97 |
| Final R indices [I > 3σ (I)] |
R1 = 0.041, wR2 = 0.111 |
|
R Indices (all data) |
R1 = 0.045, wR2 = 0.114 |
| Largest diff. peak, hole (e Å−3) |
0.58 and −0.78 |
