Information card for entry 7223928

Structure parameters

• Formula: C4 H18 N2 O8 P2
• Calculated formula: C4 H18 N2 O8 P2
• Title of publication: Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment
• Authors of publication: Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.7389 ± 0.0014 Å
• b: 9.985 ± 0.002 Å
• c: 11.457 ± 0.003 Å
• α: 115.505 ± 0.004°
• β: 94.461 ± 0.004°
• γ: 92.251 ± 0.004°
• Cell volume: 588.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No