cif-access (organic compounds)
Tetragonal channels, built up by four rows of P6O18 rings and completed by organic groups, are found to be parallel to the a direction of the unit-cell of [C4H14N2]3P6O18.3H2O. Condensed phosphoric groups are centrosymmetric. The three independent organic cations have no internal symmetry. One of them has a disordered NH3 group and is in two alternative forms [0.63 form A and 0.37 form B]. Among the three water molecules of the unit formula, one is disordered [OW3 site A 0.60, site B 0.40], the other two OW2 and OW4 are in two equally positions of 0.5 occupancy.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 130345