Information card for entry 7213143

Structure parameters

• Formula: C10 H8 N8
• Calculated formula: C10 H8 N8
• SMILES: c12c3ccccc3c3n(CCn1nnn2)nnn3
• Title of publication: Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles
• Authors of publication: Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3507
• a: 24.513 ± 0.002 Å
• b: 24.513 ± 0.002 Å
• c: 7.035 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4227.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.0907
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No