Parameter | 1 |
Emprical formula | C38H34N4O14Ni |
T (K) | 293(2) |
Wavelength (Å) | 0.71069 |
Crystal system | Triclinic |
Space group | P-1 |
a (Å) | 18.796(5) |
b (Å) | 10.121(5) |
c (Å) | 20.513(5) |
α | 90.000(5) deg. |
β | 98.312(5) deg. |
γ | 90.000(5) deg. |
V (Å3) | 3861(2) |
Z | 4 |
Dcalc. (mg∙m−3) | 1.427 |
Absorption coefficient (mm−1) | 0.576 |
F (000) | 1720 |
Crystal size (mm) | 0.31 × 0.26 × 0.24 |
θ (Range of data collection) | 2.01 to 28.27 deg. |
Limiting indices | −22 ≤ h ≤ 24, |
| −13 ≤ k ≤ 11, |
| −26 ≤ l ≤ 26 |
Data [1 > 2σ(1)] | 4667/0/266 |
Goodnes of fit on F2 | 0.943 |
R1, wR2 indices (1 > 2σ(1))a | R1 = 0.0517, wR2 = 0.1396 |
R1, wR2 (all data) | R1 = 0.0747, wR2 = 0.1544 |