Information card for entry 2212349

Structure parameters

• Chemical name: cyclohexane-1,4-diammonium bis(dihydrogenphosphate)
• Formula: C6 H20 N2 O8 P2
• Calculated formula: C6 H20 N2 O8 P2
• SMILES: [NH3+]C1CCC([NH3+])CC1.[O-]P(=O)(O)O.OP(=O)(O)[O-]
• Title of publication: A new amine phosphate templated by 1,4-diaminocyclohexane
• Authors of publication: Amel Dakhlaoui; Khadija Gmigui; Leila Samia Smiri
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o537 - o539
• a: 6.298 ± 0.003 Å
• b: 8.606 ± 0.002 Å
• c: 11.824 ± 0.007 Å
• α: 90°
• β: 101.84 ± 0.02°
• γ: 90°
• Cell volume: 627.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes