A New Decavanadate with Organic Cation: Synthesis, Crystal Structure, and Hirshfeld Surface Analysis

Table 1

Crystallographic characteristics, X-ray data collection, and structure-refinement parameters for (C₇N₃H₂₀)₂V₁₀O₂₈^.4.21H₂O.

System, sp. gr., Z	Monoclinic, P21/c, 2
a, b, c (Å)	10.488(3), 15.441(2), 25.841(6)
β (°)	90.14(2)
V (Å^3)	4184.98(1)
ρcalc (g cm^−3)	2.08
Radiation, λ (Å)	MoKα, 0.71073
μ (mm^−1)	2.219
T (K)	298
Sample size (mm^3)	0.25 × 0.19 × 0.15
Scan mode	ω/2θ
Absorption correction	Psi-scan
Tmin, Tmax	0.9052, 0.9996
θmax(°)	22.00
h, k, l ranges	0 ≤ h ≤ 11, 0 ≤ k ≤ 16, −27 ≤ l ≤ 27
Number of reflections: measured/unique (N1)	5454/5113 (N1)
Rint	0.05
Number of refined parameters	616
R(F^2)/wR(F^2)/relative to N1	0.091/0.222
Number of reflections (I > 2σ(I) (N2))	3881 (N2)
R(F^2)//wR(F^2) relative to N2	0.074/0.207
S	1.074
∆ρmax/∆ρmin, e/Å^3	1.63/−0.94