Information card for entry 8100334

Structure parameters

• Formula: C48 H88 N6 O26 P6
• Calculated formula: C48 H88 N6 O26 P6
• SMILES: O=P1([O-])OP(=O)([O-])OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1)[O-].[NH3+]c1c(ccc(c1)C)C.[NH3+]c1c(ccc(c1)C)C.[NH3+]c1c(ccc(c1)C)C.[NH3+]c1c(ccc(c1)C)C.[NH3+]c1c(ccc(c1)C)C.[NH3+]c1c(ccc(c1)C)C.O.O.O.O.O.O.O.O
• Title of publication: Crystal structure of 2,5-dimethylanilinium cyclohexaphosphate octahydrate, (C~8~H~12~N)~6~O~18~P~6~ · 8H~2~O
• Authors of publication: Khedhiri, Lamia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 233 - 234
• a: 10.759 ± 0.003 Å
• b: 10.351 ± 0.009 Å
• c: 15.914 ± 0.006 Å
• α: 99.82 ± 0.06°
• β: 98.02 ± 0.02°
• γ: 75.96 ± 0.05°
• Cell volume: 1685.2 ± 1.6 ų
• Cell temperature: 296 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No