Acta Crystallographica · 1952 · 81 citations · 0 references
Natural SciencesChemistryComputational ChemistryCrystal StructureQuantum ChemistryAb Initio MethodsCrystal ChemistryCrystallographyMolecular SymmetryStructure DeterminationX-ray CrystallographyCrystal Structure PredictionCrystal Structure RefinementCrystal Symmetry DeterminationSelenium ChemistryUnit Cell DeterminationUnit Cell ParametersUnit Cell Symmetry
The crystal structure of diphenyl diselenide has been determined by analysis of rotation and Weissenberg photographs about the b and c axes. The space group is D~-P212121; the unit cell dimensions are: a -= 24-07, b = 8.27, c -~ 5.64 A. There are four molecules in the unit cell. Positional parameters for the selenium and carbon atoms were assigned from Fourier projections on ( The observed Se-Se distance is 2-29~0.01 A, which is 0.05 /~ shorter than twice the normal singlebond radius for selenium. The selenium-carbon distances are close to the predicted value of 1.94 A.