Information card for entry 4030920

Structure parameters

• Formula: C32 H64 N6 O22 P6
• Calculated formula: C32 N6 O22 P6
• SMILES: c1cc2c(c([NH3+])c1)cccc2.[NH3+]CCCCCC[NH3+].P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O.O.c12c(cccc1cccc2)[NH3+].[NH3+]CCCCCC[NH3+].O.O
• Title of publication: Synthesis and crystal structure of(1,6-NH~3~C~6~H~12~NH~3~)~2~(1-NH~3~C~10~H~7~)~2~P~6~O~18~ · 2H~2~O
• Authors of publication: Marouani, H.; Rzaigui, M.; Bagieu-Beucher, M.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 35
• Journal issue: 6-7
• Pages of publication: 459 - 471
• a: 11.862 ± 0.002 Å
• b: 10.104 ± 0.001 Å
• c: 19.664 ± 0.006 Å
• α: 90°
• β: 96.44 ± 0.02°
• γ: 90°
• Cell volume: 2341.9 ± 0.9 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No