| Crystal data |
| Chemical formula |
[Ni(C30H35N5)(C2H3N)](BF4)2
|
|
M
r
|
739.01 |
| Crystal system, space group |
Monoclinic, C
c
|
| Temperature (K) |
298 |
|
a, b, c (Å) |
11.230 (3), 17.204 (5), 18.110 (6) |
| β (°) |
103.248 (7) |
|
V (Å3) |
3405.7 (18) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.65 |
| Crystal size (mm) |
0.30 × 0.20 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.847, 0.955 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14710, 6476, 6304 |
|
R
int
|
0.032 |
| (sin θ/λ)max (Å−1) |
0.668 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.092, 1.03 |
| No. of reflections |
6476 |
| No. of parameters |
520 |
| No. of restraints |
2 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.29, −0.25 |
| Absolute structure |
Classical Flack (1983 ▸) method preferred over Parsons because s.u. lower. |
| Absolute structure parameter |
−0.017 (12) |
