Information card for entry 7250411

Structure parameters

• Formula: C18 H38 N24 O16 S3
• Calculated formula: C18 H38 N24 O16 S3
• Title of publication: Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand
• Authors of publication: Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 4116 - 4124
• a: 16.8237 ± 0.0006 Å
• b: 12.2192 ± 0.0004 Å
• c: 18.3904 ± 0.0007 Å
• α: 90°
• β: 106.431 ± 0.002°
• γ: 90°
• Cell volume: 3626.2 ± 0.2 ų
• Cell temperature: 296.15 ± 0.03 K
• Ambient diffraction temperature: 296.15 ± 0.03 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No