Information card for entry 7230188

Structure parameters

• Formula: C19 H32 N8 O7 S
• Calculated formula: C19 H32 N8 O7 S
• Title of publication: Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration
• Authors of publication: Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 1844
• a: 6.2433 ± 0.0014 Å
• b: 35.039 ± 0.009 Å
• c: 10.477 ± 0.003 Å
• α: 90°
• β: 94.424 ± 0.009°
• γ: 90°
• Cell volume: 2285.1 ± 1 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172.13 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: 0.0431
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No