Information card for entry 8101440

Structure parameters

• Formula: C6 N6
• Calculated formula: C6 N6
• Title of publication: Crystal structure of 1,3,5-triazine-2,4,6-tricarbonitrile, C~6~N~6~
• Authors of publication: Kroke, Edwin; Schwarz, Marcus; Riedel, Ralf; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 111 - 112
• a: 8.46 ± 0.004 Å
• b: 9.04 ± 0.005 Å
• c: 9.741 ± 0.002 Å
• α: 90°
• β: 90.75 ± 0.03°
• γ: 90°
• Cell volume: 744.9 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0968
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No