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ABSTRACT:
SUBMITTER: Tiritiris I
PROVIDER: S-EPMC4719988 | biostudies-literature | 2015 Dec
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Crystallographic communications 20151224 Pt 12
The asymmetric unit of the title hydrated salt, C15H37N6 (3+)·2Br(-)·OH(-)·H2O, contains one cation, three partial-occupancy bromide ions, one hydroxide ion and one water mol-ecule. Refinement of the site-occupancy factors of the three disordered bromide ions converges with occupancies 0.701 (2), 0.831 (2) and 0.456 (2) summing to approximately two bromide ions per formula unit. The structure was refined as a two-component inversion twin with volume fractions 0.109 (8):0.891 (8) for the two doma ...[more]