Table 2. Experimental details.

Crystal data
Chemical formula	2Na2 +·C6H6O7 2−·1.5H2O
M r	263.11
Crystal system, space group	Triclinic, P
Temperature (K)	100
a, b, c (Å)	8.6713 (3), 10.6475 (4), 10.9961 (4)
α, β, γ (°)	68.461 (1), 79.617 (2), 81.799 (2)
V (Å3)	925.63 (6)
Z	4
Radiation type	Cu Kα
μ (mm−1)	2.34
Crystal size (mm)	0.24 × 0.14 × 0.06
Data collection
Diffractometer	Bruker Kappa APEX CCD area detector
Absorption correction	Multi-scan (SADABS; Bruker, 2006 ▸)
T min, T max	0.652, 0.753
No. of measured, independent and observed [I > 2σ(I)] reflections	9177, 3235, 3137
R int	0.021
(sin θ/λ)max (Å−1)	0.599
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.026, 0.070, 1.10
No. of reflections	3235
No. of parameters	370
H-atom treatment	All H-atom parameters refined
Δρmax, Δρmin (e Å−3)	0.36, −0.31

The same symmetry and lattice parameters were used for the DFT calculation. Computer programs: APEX2 and SAINT (Bruker, 2006 ▸), XM and XL (Bruker, 2004 ▸), OLEX2 (Dolomanov et al., 2009 ▸), DIAMOND (Brandenburg, 2006 ▸) and Materials Studio (Dassault Systemes, 2014 ▸).