| Crystal data |
| Chemical formula |
[Tm(NO3)3(H2O)4]·H2O |
[Tm(NO3)3(H2O)4]·2H2O |
|
M
r
|
445.04 |
463.06 |
| Crystal system, space group |
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
223 |
223 |
|
a, b, c (Å) |
6.5782 (4), 9.5213 (5), 10.4848 (6) |
6.7050 (3), 8.9733 (4), 11.4915 (6) |
| α, β, γ (°) |
63.696 (4), 84.656 (5), 76.146 (4) |
70.924 (4), 88.908 (4), 68.923 (4) |
|
V (Å3) |
571.51 (6) |
605.90 (5) |
|
Z
|
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
7.85 |
7.41 |
| Crystal size (mm) |
0.25 × 0.2 × 0.2 |
0.4 × 0.2 × 0.15 |
| |
| Data collection |
| Diffractometer |
Stoe StadiVari |
Stoe StadiVari |
| Absorption correction |
Empirical (using intensity measurements) (X-AREA; Stoe, 2015 ▸) |
Empirical (using intensity measurements) (X-AREA; Stoe, 2015 ▸) |
|
T
min, T
max
|
0.798, 1.000 |
0.615, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
18549, 4113, 3394 |
29880, 4385, 3899 |
|
R
int
|
0.038 |
0.031 |
| (sin θ/λ)max (Å−1) |
0.756 |
0.756 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.017, 0.029, 0.65 |
0.016, 0.035, 0.91 |
| No. of reflections |
4113 |
4385 |
| No. of parameters |
204 |
221 |
| H-atom treatment |
All H-atom parameters refined |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.94, −0.92 |
1.11, −1.19 |
