| Crystal data |
| Chemical formula |
[Cu(C12H12N2)2]2[ZrF6]·1.134H2O |
[Cu(C12H12N2)2]2[HfF6]·0.671H2O |
|
M
r
|
1089.61 |
1168.58 |
| Crystal system, space group |
Triclinic, P\overline{1} |
Triclinic, P\overline{1} |
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
8.6219 (3), 10.8064 (3), 12.9992 (4) |
8.5737 (1), 10.7967 (2), 13.0183 (2) |
| α, β, γ (°) |
103.078 (2), 104.013 (3), 98.863 (2) |
103.273 (1), 103.662 (1), 98.785 (1) |
|
V (Å3) |
1116.33 (6) |
1112.07 (3) |
|
Z
|
1 |
1 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
1.25 |
3.35 |
| Crystal size (mm) |
0.98 × 0.13 × 0.05 |
0.3 × 0.17 × 0.08 |
| |
| Data collection |
| Diffractometer |
Rigaku Saturn724+ (2x2 bin mode) |
Rigaku Saturn724+ (2x2 bin mode) |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2020 ▸) |
Gaussian (CrysAlis PRO; Rigaku OD, 2020 ▸) |
|
T
min, T
max
|
0.376, 1.000 |
0.433, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16573, 5673, 4588 |
40796, 8003, 7235 |
|
R
int
|
0.039 |
0.032 |
| (sin θ/λ)max (Å−1) |
0.722 |
0.784 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.088, 1.07 |
0.023, 0.056, 1.08 |
| No. of reflections |
5673 |
8003 |
| No. of parameters |
312 |
312 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.59, −0.54 |
0.48, −0.73 |
