Redetermination of the crystal structure of arsenic tribromide, AsBr3

Single-crystal X-ray diffraction measurement was performed on a Rigaku OD XtaLAB Synergy-S Dualflex diffractometer equipped with a Dectris Eiger2 R CdTe 1M detector, PhotonJet-S microfocus Cu and Ag X-ray sources, and an Oxford Cryosystems 800 Series Cryostream. Dataset was processed with empirical and numerical absorption corrections using CrysAlisPro software [1]. Crystal structure was solved by the charge flipping method using olex2.solve [2], and was subsequently refined with SHLEXL [3] within Olex2 [4]. The AsBr3.zip file contains the raw diffraction images in the .odeiger file format, the relevant data reduction and processing files, and the structure solution files.