| Crystal data |
| Chemical formula |
[Er2(C7H6NO2)6(H2O)4]·2H2O |
[Er2(C7H3ClNO4)6(C2H6OS)2] |
|
M
r
|
1259.38 |
1694.10 |
| Crystal system, space group |
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
200 |
200 |
|
a, b, c (Å) |
9.0332 (5), 10.9363 (6), 12.6194 (6) |
8.2408 (3), 12.4040 (8), 15.3409 (10) |
| α, β, γ (°) |
89.015 (4), 72.105 (5), 74.814 (5) |
111.443 (6), 98.063 (4), 96.684 (4) |
|
V (Å3) |
1142.21 (10) |
1421.04 (14) |
|
Z
|
1 |
1 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
3.73 |
3.38 |
| Crystal size (mm) |
0.30 × 0.30 × 0.25 |
0.25 × 0.12 × 0.04 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Gemini-S CCD detector |
Oxford Diffraction Gemini-S CCD detector |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
|
T
min, T
max
|
0.713, 0.980 |
0.494, 0.980 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7274, 4480, 4137 |
10041, 5566, 4814 |
|
R
int
|
0.035 |
0.055 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.058, 1.05 |
0.067, 0.181, 1.06 |
| No. of reflections |
4480 |
5566 |
| No. of parameters |
343 |
397 |
| No. of restraints |
12 |
0 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.03, −0.71 |
6.83, −2.41 |
