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. 2022 Mar 8;78(Pt 4):354–358. doi: 10.1107/S2056989022002298

Table 2. Experimental details.

Crystal data
Chemical formula [Tb(NO3)2(C2H6N2O)3]NO3
M r 567.21
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c (Å) 10.9076 (3), 9.7786 (3), 16.8578 (5)
β (°) 90.791 (1)
V3) 1797.90 (9)
Z 4
Radiation type Mo Kα
μ (mm−1) 4.02
Crystal size (mm) 0.28 × 0.21 × 0.2
 
Data collection
Diffractometer Bruker D8 QUEST CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.471, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections 47511, 6876, 5752
R int 0.034
(sin θ/λ)max−1) 0.770
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.027, 0.044, 1.08
No. of reflections 6876
No. of parameters 293
No. of restraints 9
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 1.12, −1.13

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), and OLEX2 (Dolomanov et al., 2009).