Information card for entry 7101073

Structure parameters

• Formula: C6 H12 F6 N2 O P
• Calculated formula: C6 H12 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].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: 8.9269 ± 0.0011 Å
• b: 6.0679 ± 0.001 Å
• c: 10.4425 ± 0.0015 Å
• α: 90°
• β: 113.21 ± 0.009°
• γ: 90°
• Cell volume: 519.86 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No