The variations in the crystallographic data with the exchange of the occluded molecule.

Compound	MIL-53(In)_Br_lp_DMF	MIL-53(In)_Br_np_H2O	MIL-53(In)_NO2_lp_DMF	MIL-53(In)_NO2_np_H2O
Crystal system	Orthorhombic	Monoclinic	Orthorhombic	Monoclinic
Space group	Imma	C2/c	Imma	C2/c
a (Å)	17.425	19.915	18.629	19.848
b (Å)	7.251	7.779	7.302	7.967
c (Å)	13.371	7.215	11.453	7.224
α (°)	90.00	90.00	90.00	90.00
β (°)	90.00	93.49	90.00	94.03
γ (°)	90.00	90.00	90.00	90.00
V (Å3)	1689.6	1115.8	1557.9	1138.7