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. 2024 Jul 12;9(Pt 7):x240667. doi: 10.1107/S2414314624006679

Table 2. Experimental details.

Crystal data
Chemical formula (C2H10N2)2[(C10H12N2O8)(MoO3)2]·4H2O
M r 772.40
Crystal system, space group Monoclinic, C2/c
Temperature (K) 150
a, b, c (Å) 22.5897 (14), 7.5100 (4), 16.3743 (10)
β (°) 94.716 (2)
V3) 2768.5 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.00
Crystal size (mm) 0.17 × 0.17 × 0.13
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.691, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 24031, 3192, 2946
R int 0.032
(sin θ/λ)max−1) 0.650
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.022, 0.060, 1.06
No. of reflections 3192
No. of parameters 189
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.67, −1.06

Computer programs: APEX2 and SAINT (Bruker, 2016), SHELXT2018/2 (Sheldrick, 2015a), SHELXL2018/32 (Sheldrick, 2015b), Mercury (Macrae et al., 2020) and publCIF (Westrip, 2010).