Information card for entry 8100570

Structure parameters

• Formula: C7 H20 N O7 P2
• Calculated formula: C7 H20 N O7 P2
• SMILES: P(=O)(O)([O-])C([P](=O)(O)O)(O)CCCC.[NH2+](C)C
• Title of publication: Crystal structure of (1-hydroxy-1-phosphono-pentyl)-phosphonic acid dimethyl ammonium salt, C~7~H~21~NO~7~P~2~, and of (1,8- dihydroxy- 1,8,8-tris-phosphono-octyl)-phosphonic acid bis-dimethylammonium salt tetra-hydrate, C~12~H~36~N~2~O~14~P~4~ · 4H~2~O, evidence for trapped alcaline species by bisphosphonic and tetraphosphonic acids in the crystalline state
• Authors of publication: Neuman, Alain; Coindet-Benramdane, Mounia; Gillier, Hélene; Leroux, Yves; ElManouni, Driss; Prangé, Thierry
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 154 - 156
• a: 11.404 ± 0.002 Å
• b: 10.426 ± 0.002 Å
• c: 6.199 ± 0.002 Å
• α: 92.07 ± 0.1°
• β: 95.9 ± 0.1°
• γ: 110.45 ± 0.1°
• Cell volume: 684.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No