Information card for entry 4508982

Structure parameters

• Formula: C4 H14 N4 O7 P2
• Calculated formula: C4 H14 N4 O7 P2
• SMILES: c1[nH]cn[nH+]1.C(C)([NH3+])(P(=O)([O-])O)P(=O)(O)[O-].O
• Title of publication: A Novel Supramolecular Plaster Based on An Organic Acid−Base Compound: Synthesis, Structure, Mechanical Properties, and Sterilizing Performance
• Authors of publication: Chen, Shuo-ping; Yuan, Yi-xuan; Pan, Ling-ling; Xu, Shu-qin; Xia, Han; Yuan, Liang-jie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 874
• a: 5.5117 ± 0.0004 Å
• b: 9.3252 ± 0.0007 Å
• c: 11.7405 ± 0.0009 Å
• α: 77.762 ± 0.001°
• β: 79.421 ± 0.001°
• γ: 76.283 ± 0.001°
• Cell volume: 567.23 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No