Information card for entry 8101029

Structure parameters

• Formula: C48 H84 N6 O24 P6
• Calculated formula: C48 H84 N6 O24 P6
• SMILES: O.O.O.O.O.O.[NH3+]c1cc(cc(c1)C)C.[NH3+]c1cc(cc(c1)C)C.[NH3+]c1cc(cc(c1)C)C.[NH3+]c1cc(cc(c1)C)C.[NH3+]c1cc(cc(c1)C)C.[NH3+]c1cc(cc(c1)C)C.O1P(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP1(=O)[O-]
• Title of publication: Crystal structure of 3,5-dimethyl-phenylammonium cyclohexaphosphate hexahydrate, (C~8~H~12~N)~6~(P~6~O~18~) · 6H~2~O
• Authors of publication: Khederi, Lamia; Marouani, Houda; Rzaigui, Mohamed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 429 - 430
• a: 9.267 ± 0.003 Å
• b: 11.241 ± 0.004 Å
• c: 17.773 ± 0.004 Å
• α: 107.86 ± 0.02°
• β: 104.94 ± 0.02°
• γ: 71.81 ± 0.03°
• Cell volume: 1647.1 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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