Information card for entry 1100690

Structure parameters

• Formula: C8 H32 N4 O16 P4
• Calculated formula: C8 H32 N4 O16 P4
• SMILES: [NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.O.O.O=P1(OP(=O)(OP(=O)([O-])OP(=O)(O1)[O-])[O-])[O-].O.O
• Title of publication: Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O
• Authors of publication: Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2004
• Journal volume: 20
• Pages of publication: x1 - x2
• a: 7.733 ± 0.003 Å
• b: 10.511 ± 0.002 Å
• c: 7.715 ± 0.002 Å
• α: 98.17 ± 0.02°
• β: 109.89 ± 0.02°
• γ: 82.79 ± 0.02°
• Cell volume: 581.7 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No