Information card for entry 7101072

Structure parameters

• Formula: C6 H12 N4 O7
• Calculated formula: C6 H12 N4 O7
• SMILES: O=N(=O)[O-].O=N(=O)[O-].O.[NH3+]c1cc([NH3+])ccc1
• Title of publication: Unusual variations in the incidence of Z'>1 in oxo-anion structures
• Authors of publication: Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.677 ± 0.002 Å
• b: 6.8471 ± 0.0018 Å
• c: 15.621 ± 0.003 Å
• α: 90°
• β: 108.61 ± 0.01°
• γ: 90°
• Cell volume: 1082.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No