Information card for entry 3500071

Structure parameters

• Formula: C7 H3 N3
• Calculated formula: C7 H3 N3
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2017
• a: 7.4485 ± 0.0006 Å
• b: 6.1845 ± 0.0005 Å
• c: 13.4791 ± 0.0013 Å
• α: 90°
• β: 95.757 ± 0.003°
• γ: 90°
• Cell volume: 617.79 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes