Information card for entry 5000150

Structure parameters

• Formula: C6 H3 N3 O6
• Calculated formula: C6 H3 N3 O6
• Title of publication: The crystal structure of 1,3,5-trinitrobenzene by neutron diffraction
• Authors of publication: Choi, C. S.; Abel, J. E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1972
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 193 - 201
• a: 9.78 ± 0.01 Å
• b: 26.94 ± 0.01 Å
• c: 12.82 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3377.73 ų
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No