Information card for entry 8101767

Structure parameters

• Chemical name: tetrakis(4-methoxybenzylammonium) cyclotetraphosphate tetrahydrate
• Formula: C32 H56 N4 O20 P4
• Calculated formula: C32 H56 N4 O20 P4
• Title of publication: Crystal structure of tetrakis(4-methoxybenzyl-ammonium) cyclotetraphosphate tetrahydrate, (C~8~H~12~NO)~4~[P~4~O~12~] · 4H~2~O
• Authors of publication: H. Hemissi; S. Abid; M. Rzaigui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 265 - 266
• a: 13.412 ± 0.002 Å
• b: 9.16 ± 0.002 Å
• c: 18.128 ± 0.003 Å
• α: 90°
• β: 104.41 ± 0.01°
• γ: 90°
• Cell volume: 2157 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections: 1.756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No