Information card for entry 2204731

Structure parameters

• Formula: C6 H24 N4 O8 P2
• Calculated formula: C6 H24 N4 O8 P2
• SMILES: P(=O)([O-])(O)O.P(=O)([O-])([O-])O.N(CC[NH3+])(CC[NH3+])CC[NH3+]
• Title of publication: A new amine phosphate templated by tris(2-aminoethyl)amine
• Authors of publication: Amel Dakhlaoui; Leila Samia Smiri; Ahmed Driss
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2241 - o2243
• a: 7.905 ± 0.002 Å
• b: 9.441 ± 0.002 Å
• c: 10.974 ± 0.003 Å
• α: 76.37 ± 0.02°
• β: 101.29 ± 0.03°
• γ: 105.96 ± 0.03°
• Cell volume: 757.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes