Information card for entry 1520503

Structure parameters

• Formula: C14 H22 N2 O7 P2
• Calculated formula: C14 N2 O7 P2
• SMILES: P(=O)([O-])(O)OP(=O)([O-])O.[NH3+]c1c(cccc1)C.[NH3+]c1c(cccc1)C
• Title of publication: Synthesis and crystal structure of (o-CH3C6H4NH3)2H2P2O7
• Authors of publication: S Akriche; M Rzaigui
• Journal of publication: Solid State Sciences
• Year of publication: 2000
• Journal volume: 2
• Pages of publication: 399 - 405
• a: 15.258 ± 0.003 Å
• b: 19.696 ± 0.004 Å
• c: 11.578 ± 0.005 Å
• α: 90°
• β: 89.93 ± 0.02°
• γ: 90°
• Cell volume: 3479.4 ± 1.8 ų
• Ambient diffraction temperature: 298 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: 0.049
• Weighted residual factors for significantly intense reflections: 0.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No